SCHEMBL7680378

SCHEMBL7680378

Cc1ccccc1-c1nc(CCc2cccc(C(=O)O)c2)c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL6158281 0.84 FAAH (0.43) NPSR1
SCHEMBL6161164 0.83 P2RX7 (0.45)
SCHEMBL6160429 0.81
SCHEMBL6161174 0.73 PARP1 (0.43)
SCHEMBL6162070 0.71
SCHEMBL6160714 0.69
SCHEMBL6161010 0.67
SCHEMBL6161056 0.66
SCHEMBL6161939 0.66
SCHEMBL9001789 0.66 TSHR (0.69) USP2TP53ALOX15TSHRMAPK1

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-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed