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SCHEMBL8948792

SCHEMBL8948792

N#Cc1ccc(N2C[C@@H](CN3CCC(C(=O)OCc4ccccc4)CC3)OC2=O)cc1.N#Cc1ccc(N2C[C@H](CN3CCC(C(=O)O)CC3Cc3ccccc3)OC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ GRM2 Q14416 3/20 0.38
▸ SIGMAR1 Q99720 5/20 0.38
▸ HPGD P15428 1/20 0.37
▸ CHRM4 P08173 1/20 0.36
▸ ITGB3 P05106 6/20 0.35
▸ PRSS1 P07477 6/20 0.35
▸ PRSS2 P07478 6/20 0.35
▸ ITGA2B P08514 6/20 0.35
▸ PRSS3 P35030 6/20 0.35
▸ F10 P00742 4/20 0.35

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
SCHEMBL8948663 0.89 L3MBTL1 (0.49) L3MBTL1GRM2SIGMAR1HPGDCHRM4
SCHEMBL8948589 0.89 L3MBTL1 (0.49) L3MBTL1GRM2SIGMAR1HPGDCHRM4
SCHEMBL8948720 0.89 L3MBTL1 (0.49) L3MBTL1GRM2SIGMAR1HPGDCHRM4
SCHEMBL8948686 0.81 L3MBTL1 (0.47) L3MBTL1GRM2SIGMAR1HPGDF10
SCHEMBL8948778 0.79 GRM2 (0.45) GRM2SIGMAR1CHRM4
SCHEMBL8311049 0.79 GRM2 (0.53) GRM2SIGMAR1ITGB3PRSS1PRSS2
SCHEMBL8948618 0.79 GRM2 (0.53) GRM2SIGMAR1ITGB3PRSS1PRSS2
SCHEMBL8948494 0.79 GRM2 (0.53) GRM2SIGMAR1ITGB3PRSS1PRSS2
SCHEMBL8948884 0.79 GRM2 (0.43) GRM2SIGMAR1
SCHEMBL8451456 0.79 SIGMAR1 (0.44) L3MBTL1GRM2SIGMAR1

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
US-5532255-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 — — US disclosed