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SCHEMBL29854419

SCHEMBL29854419

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(N)=O)C(C)C)C(C)C)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 1/20 0.64
▸ CRHR2 Q13324 1/20 0.64
▸ TFPI P10646 1/20 0.64
▸ OPRL1 P41146 2/20 0.62
▸ IL23R Q5VWK5 1/20 0.61
▸ GLP1R P43220 6/20 0.60
▸ CCKBR P32239 1/20 0.60

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
SCHEMBL29582948 0.97 CRHR1 (0.68) CRHR1CRHR2TFPIGLP1RCCKBR
SCHEMBL30589713 0.94 CRHR1 (0.59) CRHR1CRHR2TFPIOPRL1IL23R
SCHEMBL29732401 0.93 TFPI (0.62) CRHR1CRHR2TFPI
SCHEMBL29701273 0.93 TFPI (0.74) TFPIIL23RGLP1RCCKBR
SCHEMBL29609357 0.91 TFPI (0.64) CRHR1CRHR2TFPIIL23RGLP1R
SCHEMBL30504369 0.90 GLP1R (0.71) TFPIGLP1RCCKBR
SCHEMBL34139 0.90 GLP1R (0.71) TFPIGLP1RCCKBR
SCHEMBL197505 0.90 GLP1R (0.71) TFPIGLP1RCCKBR
SCHEMBL31182918 0.90 TFPI (0.64) CRHR1CRHR2TFPIIL23RGLP1R
SCHEMBL31182935 0.90 TFPI (0.62) CRHR1CRHR2TFPIIL23RGLP1R

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238379-A1 Compositions and Methods for the Prevention and Treatment of Stress-Induced Fear, Depressive-Like and Anxiety-Like Behavior THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2024-07-18 — — US disclosed
US-20230293681-A1 Antagonism of the VIP Signaling Pathway EMORY UNIVERSITY 2023-09-21 — — US disclosed
WO-2023272344-A1 SLEEP APNOEA DIAGNOSTIC THE HEART RESEARCH INSTITUTE, LTD (AU) 2023-01-05 — — WO disclosed
WO-2023278702-A1 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF STRESS-INDUCED FEAR, DEPRESSIVE-LIKE AND ANXIETY-LIKE BEHAVIOR THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-05 — — WO disclosed
US-11464855-B2 Antagonism of the VIP signaling pathway EMORY UNIVERSITY (US) 2022-10-11 — — US disclosed
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