SCHEMBL9826331

SCHEMBL9826331

c1ccc(N2CCN(CCCOc3cccc4cccnc34)CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.70
HRH3 Q9Y5N1 3/20 0.70
HTR1A P08908 5/20 0.60
HRH1 P35367 4/20 0.58
HTR2A P28223 3/20 0.58
DRD2 P14416 2/20 0.58
TMEM97 Q5BJF2 2/20 0.58
SIGMAR1 Q99720 2/20 0.58
RAB9A P51151 3/20 0.54
MAPT P10636 1/20 0.54
KCNH2 Q12809 2/20 0.53
HTR2C P28335 1/20 0.52
HTR7 P34969 1/20 0.52
NPC1 O15118 2/20 0.52
HRH2 P25021 1/20 0.51

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
SCHEMBL2485756 0.84 TDP1 (0.58) HRH3HRH1HTR2ARAB9AMAPT
SCHEMBL9826692 0.84 DRD2 (0.55) DRD3HRH3HTR1AHRH1HTR2A
SCHEMBL1101138 0.84 KDM4E (0.58) RAB9AMAPTNPC1
SCHEMBL1101056 0.83 HRH3 (0.58) HRH3HRH1HTR2ARAB9AMAPT
SCHEMBL11826635 0.82 HRH3 (1.00) DRD3HRH3HTR1AHRH1HTR2A
SCHEMBL2486100 0.81 RAB9A (0.52) HTR2ARAB9AMAPTHTR2CNPC1
SCHEMBL2483050 0.81 TDP1 (0.64) HRH3HRH1HTR2ARAB9AMAPT
SCHEMBL9825581 0.80 HRH3 (0.76) DRD3HRH3HTR1AHRH1HTR2A
SCHEMBL2481096 0.80 KDM4E (0.53) RAB9AMAPTNPC1
SCHEMBL2486394 0.80 HRH3 (0.64) HRH3HRH1HTR2ARAB9AMAPT

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
EP-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed