SCHEMBL8917171

SCHEMBL8917171

CCc1oc2cc(F)ccc2c1C1CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.39
SLC6A4 P31645 1/20 0.39
ACHE P22303 3/20 0.34
NQO1 P15559 1/20 0.33
SCD O00767 1/20 0.32
MAOB P27338 3/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
KCNH2 Q12809 3/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
CCR3 P51677 1/20 0.31
MCHR1 Q99705 2/20 0.31
BCHE P06276 1/20 0.31
MCHR2 Q969V1 1/20 0.31

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
SCHEMBL8919154 0.82 MAOB (0.37) DRD2SLC6A4ACHENQO1SCD
SCHEMBL8920216 0.71 DRD2 (0.34) DRD2SLC6A4ACHECCR3BCHE
SCHEMBL8917899 0.68 CYP11B1 (0.40) DRD2SLC6A4ACHECYP11B1CYP11B2
SCHEMBL2197968 0.68 ACHE (0.62) DRD2SLC6A4ACHESCDHTR2A
SCHEMBL8919840 0.67 RAB9A (0.36) ACHESCDMAOBHTR2ABCHE
SCHEMBL8920018 0.62 SCD (0.54) ACHESCD
SCHEMBL1845286 0.62 ACHE (0.35) DRD2SLC6A4ACHESCD
SCHEMBL8917524 0.62 RAB9A (0.44) MAOB
SCHEMBL5542871 0.61 OPRL1 (0.33)
SCHEMBL22758240 0.60 MALT1 (0.43) DRD2SLC6A4ACHECCR3BCHE

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-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed