SCHEMBL9825914

SCHEMBL9825914

c1cnc(N2CCN(CCCOc3cccc4cnccc34)CC2)nc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.57
DRD3 P35462 4/20 0.57
DRD2 P14416 4/20 0.55
HTR2A P28223 4/20 0.55
HTR1A P08908 2/20 0.55
DRD1 P21728 2/20 0.55
KCNA3 P22001 1/20 0.54
ABCB1 P08183 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
DRD5 P21918 1/20 0.47
HTR7 P34969 2/20 0.47
HTR6 P50406 2/20 0.47

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
SCHEMBL9825650 0.88 DRD3 (0.57) HRH3DRD3DRD2HTR2AHTR1A
SCHEMBL9825581 0.87 HRH3 (0.76) HRH3DRD3DRD2HTR2AHTR1A
Hydrochloric Acid SCHEMBL9825840 0.87 DRD3 (0.56) HRH3DRD3DRD2HTR2AHTR1A
SCHEMBL9826692 0.77 DRD2 (0.55) HRH3DRD3DRD2HTR2AHTR1A
SCHEMBL9825781 0.77 HRH3 (0.66) HRH3DRD3DRD2HTR2AHTR1A
SCHEMBL9825874 0.76 HTR2A (0.54) HRH3DRD3DRD2HTR2AHTR1A
SCHEMBL9826050 0.75 KCNA3 (0.55) HRH3DRD3DRD2HTR1AKCNA3
Hydrochloric Acid SCHEMBL9826723 0.74 KCNA3 (0.54) HRH3DRD3DRD2HTR1AKCNA3
SCHEMBL1545737 0.74 KCNA3 (0.71) KCNA3MEN1KMT2ATDP1
SCHEMBL8810727 0.73 HTR2A (0.52) HRH3DRD2HTR2AHTR7HTR6

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 4 patents. 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 disclosed
US-4803203-A SCHIZOPHRENIA, NEUOLEPTIC AGENTS WARNER-LAMBERT COMPANY (US) 1989-02-07 US disclosed
US-4704390-A SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1987-11-03 US disclosed
EP-0237781-A2 Phenyl and heterocyclic tetrahydropyridyl and piperazinyl alkoxy-benzheterocyclic compounds as antipsychotic agents WARNER-LAMBERT COMPANY (US) 1987-09-23 EP disclosed