SCHEMBL7686345

SCHEMBL7686345

COC(=O)c1cccc(CCc2nc(-c3ccccc3C)[nH]c2C(=O)NC23CC4CC(CC(C4)C2)C3)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HPGD P15428 1/20 0.44
PARP1 P09874 1/20 0.42
CNR2 P34972 5/20 0.42
FAAH O00519 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 1/20 0.39
CNR1 P21554 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 0.92 FAAH (0.43) ALDH1A1MAPTNPSR1CNR2FAAH
SCHEMBL6161174 0.84 PARP1 (0.43) PARP1
SCHEMBL6161164 0.81 P2RX7 (0.45)
SCHEMBL6159239 0.72
SCHEMBL7530483 0.72 CYP4F2 (0.46) PARP1LMNASMN1; SMN2
SCHEMBL6163491 0.68
SCHEMBL70173 0.65 CYP4F2 (0.83) ALDH1A1MAPTHPGDPARP1MEN1
SCHEMBL1926802 0.64 CYP4F2 (0.76) ALDH1A1MAPTHPGDPARP1LMNA
SCHEMBL19736415 0.63 CNR2 (0.76) EPHX2ALDH1A1MAPTNPSR1HPGD
SCHEMBL3539666 0.62 CNR1 (0.52) EPHX2ALDH1A1MAPTNPSR1HPGD

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