SCHEMBL6997741

SCHEMBL6997741

COc1ccc(CSc2ccc(N)c(F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.56
APP P05067 1/20 0.55
MAOA P21397 3/20 0.52
HDAC3 O15379 1/20 0.50
NCOR1 O75376 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC2 Q92769 1/20 0.50
DAO P14920 2/20 0.46
IDO1 P14902 2/20 0.43
TSHR P16473 2/20 0.42
TAAR1 Q96RJ0 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
LMNA P02545 1/20 0.39
MMP13 P45452 1/20 0.39
FABP3 P05413 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
SCHEMBL6198163 0.80 MAOA (0.50) MAOBMAOADAONPC1RAB9A
SCHEMBL30786206 0.79 MAOB (0.52) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL3228582 0.79 APP (0.82) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL28070732 0.78 APP (0.70) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL6997147 0.77 MAOB (0.50) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL30786125 0.77 MAOB (0.53) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL27282525 0.76 MAOB (0.80) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL6153764 0.76 MAOB (0.55) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL19389523 0.75 APP (0.66) MAOBAPPMAOAHDAC3NCOR1
SCHEMBL7095627 0.75 MAOB (0.46) MAOBAPPMAOAHDAC3NCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086078-B1 NEUROPEPTIDE Y5 RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-02-05 EP disclosed
US-6329395-B1 UREA DERIVATIVES FOR TREATING AN EATING DISORDER OR DIABETES COMPRISING ADMINISTERING AN EFFECTIVE AMOUNT OF A COMPOUND OF CLAIM 1 TO A MAMMAL SCHERING CORPORATION 2001-12-11 US disclosed
EP-1086078-A1 NEUROPEPTIDE Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2001-03-28 EP disclosed
WO-1999064394-A1 NEUROPEPTIDE Y5 RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 1999-12-16 WO disclosed