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SCHEMBL21462828

SCHEMBL21462828

CCC(C)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(C)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(C)O)C(C)C)C(C)O)C(=O)N[C@H]([C]=O)CCCCN

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPY2R P49146 8/20 0.62
▸ NPY4R P50391 8/20 0.62
▸ NPY5R Q15761 8/20 0.62
▸ NPY1R P25929 6/20 0.61
▸ MAPK8 P45983 1/20 0.59
▸ MAPK9 P45984 1/20 0.59
▸ MAPK10 P53779 1/20 0.59
▸ EP300 Q09472 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ TFPI P10646 3/20 0.57
▸ CALCR P30988 4/20 0.57
▸ KDM1A O60341 1/20 0.56

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21462831 1.00 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29263405 0.99 NPY2R (0.62) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL28762269 0.91 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL28731660 0.90 NPY2R (0.60) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30436596 0.89 MAPK8 (0.65) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29903341 0.89 NPY2R (0.66) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30607334 0.89 NPY2R (0.68) NPY2RNPY4RNPY5RNPY1REP300
SCHEMBL30432199 0.89 NPY2R (0.67) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL29679864 0.88 MAPK8 (0.62) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30607487 0.88 NPY2R (0.69) NPY2RNPY4RNPY5RNPY1RMAPK8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030597-A1 METHODS OF TREATING CANCER BY THE USE OF PD-1 AXIS INHIBITORS AND ANTI-PERIOSTIN ANTIBODIES BOEHRINGER INGELHEIM IO CANADA INC. (CA) 2023-02-02 — — US claimed
US-20210130453-A1 COMBINATION OF LIF INHIBITORS AND PD-1 AXIS INHIBITORS FOR USE IN TREATING CANCER MEDIMMUNE LIMITED (GB) 2021-05-06 — — US claimed
EP-3774895-A1 COMBINATION OF LIF INHIBITORS AND PD-1 AXIS INHIBITORS FOR USE IN TREATING CANCER MedImmune Limited (GB) 2021-02-17 — — EP claimed
WO-2019197903-A1 COMBINATION OF LIF INHIBITORS AND PD-1 AXIS INHIBITORS FOR USE IN TREATING CANCER MOSAIC BIOMEDICALS SLU (ES) 2019-10-17 — — WO claimed
WO-2024047654-A1 DRUG CONJUGATES OF HUMANIZED ANTI PVR ANTIBODIES NECTIN THERAPEUTICS LTD. (IL) 2024-03-07 — — WO disclosed
EP-4291580-A1 ANTIBODIES AGAINST CD112R AND USES THEREOF Nectin Therapeutics Ltd. (IL) 2023-12-20 — — EP disclosed
WO-2023161943-A1 HUMANIZED ANTIBODIES AGAINST NECTIN-2 AND DRUG CONJUGATES THEREOF NECTIN THERAPEUTICS LTD. (IL) 2023-08-31 — — WO disclosed
US-20230030597-A1 METHODS OF TREATING CANCER BY THE USE OF PD-1 AXIS INHIBITORS AND ANTI-PERIOSTIN ANTIBODIES BOEHRINGER INGELHEIM IO CANADA INC. (CA) 2023-02-02 — — US disclosed
EP-4028056-A1 METHODS OF TREATING CANCER BY THE USE OF PD-1 AXIS INHIBITORS AND ANTI-PERIOSTIN ANTIBODIES Boehringer Ingelheim IO Canada Inc. (CA) 2022-07-20 — — EP disclosed
US-20210130453-A1 COMBINATION OF LIF INHIBITORS AND PD-1 AXIS INHIBITORS FOR USE IN TREATING CANCER MEDIMMUNE LIMITED (GB) 2021-05-06 — — US disclosed
WO-2021070181-A1 ANTIBODIES AGAINST THE POLIOVIRUS RECEPTOR (PVR) AND USES THEREOF NECTIN THERAPEUTICS LTD. (IL) 2021-04-15 — — WO disclosed
WO-2021046634-A1 METHODS OF TREATING CANCER BY THE USE OF PD-1 AXIS INHIBITORS AND ANTI-PERIOSTIN ANTIBODIES BOEHRINGER INGELHEIM IO CANADA, INC. (CA) 2021-03-18 — — WO disclosed
EP-3774895-A1 COMBINATION OF LIF INHIBITORS AND PD-1 AXIS INHIBITORS FOR USE IN TREATING CANCER MedImmune Limited (GB) 2021-02-17 — — EP disclosed
WO-2019197903-A1 COMBINATION OF LIF INHIBITORS AND PD-1 AXIS INHIBITORS FOR USE IN TREATING CANCER MOSAIC BIOMEDICALS SLU (ES) 2019-10-17 — — WO disclosed
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