SCHEMBL1667517

SCHEMBL1667517

CC(C)(C)OC(=O)[C]1C[C@H]1c1ccc(OCc2ccc(C#N)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
KCNH2 Q12809 1/20 0.50
GPR119 Q8TDV5 2/20 0.49
MAOB P27338 8/20 0.45
SMPD1 P17405 1/20 0.42
MAOA P21397 3/20 0.41
HRH3 Q9Y5N1 1/20 0.40
ADAM17 P78536 1/20 0.40
PTGER4 P35408 1/20 0.40
PTPN1 P18031 1/20 0.40
ADAMTS4 O75173 1/20 0.40
MMP13 P45452 1/20 0.40

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
SCHEMBL22386738 0.75 RAB9A (0.68) RAB9AMAOBSMPD1ADAM17PTPN1
SCHEMBL13277597 0.73 MAOB (0.48) RAB9AKCNH2GPR119MAOBSMPD1
SCHEMBL13277598 0.73 MAOB (0.48) RAB9AKCNH2GPR119MAOBSMPD1
SCHEMBL7339603 0.73 MAOB (0.53) RAB9AKCNH2GPR119MAOBSMPD1
SCHEMBL7339607 0.73 MAOB (0.53) RAB9AKCNH2GPR119MAOBSMPD1
SCHEMBL1670147 0.73 KCNH2 (0.46) RAB9AKCNH2GPR119MAOBSMPD1
SCHEMBL1670144 0.73 KCNH2 (0.46) RAB9AKCNH2GPR119MAOBSMPD1
SCHEMBL29741480 0.71 MAOB (0.81) RAB9AMAOBSMPD1MAOAHRH3
SCHEMBL18664184 0.71 MAOB (0.81) RAB9AMAOBSMPD1MAOAHRH3
SCHEMBL20848350 0.71 MAOB (0.60) RAB9AKCNH2MAOBSMPD1MAOA

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
WO-2011042217-A1 SUBSTITUTED HETEROARYL- AND ARYL- CYCLOPROPYLAMINE ACETAMIDES AND THEIR USE ORYZON GENOMICS S.A. (ES) 2011-04-14 WO disclosed