SCHEMBL7302032

SCHEMBL7302032

CCOC(=O)CC1COc2ccc(OCc3ccc(C#N)cc3)cc2C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.46
RAB9A P51151 1/20 0.44
MAOA P21397 4/20 0.42
MTNR1A P48039 2/20 0.42
ACHE P22303 3/20 0.41
SMPD1 P17405 1/20 0.39
TP53 P04637 1/20 0.38
KCNH2 Q12809 1/20 0.38
PTGER4 P35408 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
FFAR1 O14842 1/20 0.38

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
SCHEMBL7307240 0.84 ITGB3 (0.54) MTNR1A
SCHEMBL7297144 0.80 MTNR1A (0.63) MTNR1ATP53
SCHEMBL6958873 0.80 ITGB3 (0.55) MAOBRAB9AMAOAACHESMPD1
SCHEMBL7297084 0.79 ITGB3 (0.56) RAB9A
SCHEMBL7307505 0.79 ITGB3 (0.49) RAB9ATP53
SCHEMBL7300468 0.78 RAB9A (0.44) MAOBRAB9AMAOASMPD1KCNH2
SCHEMBL7302536 0.78 MTNR1A (0.45) RAB9AMTNR1ATP53
SCHEMBL6554181 0.74 MTNR1A (0.44) RAB9AMAOAMTNR1ATP53
SCHEMBL6555465 0.74 MTNR1A (0.44) RAB9AMAOAMTNR1ATP53
SCHEMBL6553963 0.74 MTNR1A (0.44) RAB9AMAOAMTNR1ATP53

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
EP-0709370-B1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI CHEMICALS INC (JP) 1999-01-13 EP disclosed
US-5629321-A FIBRINOGEN ANTAGONIST MITSUI TOATSU CHEMICALS, INC. (JP) 1997-05-13 US disclosed
EP-0709370-A1 Bicyclic compounds useful as platelet aggregation inhibitors MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-01 EP disclosed