SCHEMBL8948720

SCHEMBL8948720

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
SIGMAR1 Q99720 5/20 0.45
GRM2 Q14416 4/20 0.45
HPGD P15428 1/20 0.44
CHRM4 P08173 1/20 0.42
ITGB3 P05106 6/20 0.41
PRSS1 P07477 6/20 0.41
PRSS2 P07478 6/20 0.41
ITGA2B P08514 6/20 0.41
PRSS3 P35030 6/20 0.41
F10 P00742 4/20 0.41

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
SCHEMBL8948589 1.00 L3MBTL1 (0.49) L3MBTL1SIGMAR1GRM2HPGDCHRM4
SCHEMBL8948663 1.00 L3MBTL1 (0.49) L3MBTL1SIGMAR1GRM2HPGDCHRM4
SCHEMBL8948686 0.91 L3MBTL1 (0.47) L3MBTL1SIGMAR1GRM2HPGDF10
SCHEMBL8948792 0.89 L3MBTL1 (0.41) L3MBTL1SIGMAR1GRM2HPGDCHRM4
SCHEMBL8452739 0.88 SIGMAR1 (0.44) L3MBTL1SIGMAR1GRM2
SCHEMBL8457744 0.88 SIGMAR1 (0.44) L3MBTL1SIGMAR1GRM2
SCHEMBL8451456 0.88 SIGMAR1 (0.44) L3MBTL1SIGMAR1GRM2
SCHEMBL8948773 0.88 SIGMAR1 (0.44) L3MBTL1SIGMAR1GRM2CHRM4ITGB3
SCHEMBL8948784 0.87 GRM2 (0.53) SIGMAR1GRM2ITGB3PRSS1PRSS2
SCHEMBL8948675 0.87 GRM2 (0.53) SIGMAR1GRM2ITGB3PRSS1PRSS2

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