SCHEMBL8857763

SCHEMBL8857763

CCC[C@H]1CC[C@H](CCc2ccc(B(O)O)c(F)c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.38
MAOA P21397 2/20 0.38
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
NPC1 O15118 1/20 0.34
CYP2C9 P11712 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
OPRM1 P35372 1/20 0.33
OPRK1 P41145 1/20 0.33
OPRL1 P41146 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL8982044 0.91 CYP3A4 (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8146444 0.83 SLC6A2 (0.42) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL8961286 0.83 SLC6A2 (0.42) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL10479865 0.82 SLC6A2 (0.41) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL10479867 0.82 SLC6A2 (0.41) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL9809556 0.81 MAOB (0.40) MAOBMAOASLC6A2SLC6A4SLC6A3
SCHEMBL2392780 0.80 CYP2C9 (0.49) SLC6A4CYP2C9OPRM1OPRK1OPRL1
SCHEMBL6558027 0.80 CYP2C9 (0.49) SLC6A4CYP2C9OPRM1OPRK1OPRL1
SCHEMBL30400657 0.80 CYP2C9 (0.49) SLC6A4CYP2C9OPRM1OPRK1OPRL1
SCHEMBL2483099 0.80 LPL (0.52) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5637257-A LIQUID CRYSTAL DISPLAYING MERCK PATENT GESELLSCHAFT MLT BESCHRANKTER HAFTUNG (DE) 1997-06-10 US disclosed
US-5482653-A FOR LIQUID CRYSTAL DISPLAY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-01-09 US disclosed
WO-1990015113-A1 FLUORO-CHLORO-BENZENE DERIVATIVES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-12-13 WO disclosed