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SCHEMBL29812377

SCHEMBL29812377

CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CS)NC(C)=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 5/20 0.60
▸ CRHR1 P34998 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ HCRTR1 O43613 1/20 0.57
▸ HCRTR2 O43614 1/20 0.57
▸ RAMP1 O60894 1/20 0.57
▸ RAMP2 O60895 1/20 0.57
▸ RAMP3 O60896 1/20 0.57
▸ CALCRL Q16602 1/20 0.57
▸ GLP1R P43220 3/20 0.56
▸ GCGR P47871 1/20 0.56
▸ GIPR P48546 1/20 0.56
▸ CCKBR P32239 2/20 0.56
▸ F2 P00734 4/20 0.55
▸ CALCA P06881 1/20 0.55
▸ MAPK8 P45983 1/20 0.55
▸ MAPK9 P45984 1/20 0.55
▸ MAPK10 P53779 1/20 0.55
▸ IL23R Q5VWK5 1/20 0.54
▸ CXCR4 P61073 1/20 0.54

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
SCHEMBL29812581 0.97 CALCR (0.60) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29812671 0.94 CALCR (0.64) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29812696 0.94 CALCR (0.60) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29812953 0.93 CALCR (0.66) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29812583 0.92 CALCR (0.62) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30598134 0.92 CALCR (0.71) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30598167 0.92 CALCR (0.69) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL30598216 0.89 CALCR (0.72) CALCRCRHR1CRHR2HCRTR1HCRTR2
SCHEMBL29408452 0.88 F2 (0.61) CALCRF2
SCHEMBL29408449 0.88 F2 (0.61) CALCRF2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022111713-A1 POLYPEPTIDE CONTAINING DISULFIDE BONDS AND CAPABLE OF INHIBITING ACTIVITY OF SERINE PROTEASE, DERIVED HYBRID PEPTIDE THEREOF, AND USE THEREOF 中国医学科学院药物研究所 2022-06-02 — — WO disclosed
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