SCHEMBL9826692

SCHEMBL9826692

c1cnc(N2CCN(CCCCOc3cccc4cccnc34)CC2)nc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.55
HTR1A P08908 5/20 0.55
HTR2A P28223 4/20 0.55
DRD1 P21728 3/20 0.55
DRD3 P35462 3/20 0.55
HRH3 Q9Y5N1 6/20 0.54
ABCB1 P08183 3/20 0.53
DRD5 P21918 2/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ADRA1A P35348 1/20 0.50
HRH1 P35367 1/20 0.50
ADRA1B P35368 1/20 0.50
KCNH2 Q12809 1/20 0.50
HTR7 P34969 1/20 0.49
HTR6 P50406 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2483050 0.87 TDP1 (0.64) HTR2AHRH3NPC1RAB9AADRA1A
SCHEMBL2481096 0.86 KDM4E (0.53) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL2486394 0.86 HRH3 (0.64) HTR2AHRH3NPC1RAB9AADRA1A
SCHEMBL9826331 0.84 DRD3 (0.70) DRD2HTR1AHTR2ADRD3HRH3
SCHEMBL2485756 0.83 TDP1 (0.58) HTR2AHRH3NPC1RAB9AADRA1A
SCHEMBL1101138 0.82 KDM4E (0.58) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1101056 0.82 HRH3 (0.58) HTR2AHRH3NPC1RAB9AADRA1A
SCHEMBL9825874 0.81 HTR2A (0.54) DRD2HTR1AHTR2ADRD1DRD3
SCHEMBL2486100 0.80 RAB9A (0.52) HTR2ANPC1RAB9AMEN1KMT2A
SCHEMBL10654773 0.79 RAB9A (0.56) DRD2HTR1ADRD3NPC1RAB9A

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