SCHEMBL7963618

SCHEMBL7963618

Clc1ccc(N2CCN(CCCc3cnc4n3CCCC4)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.51
DRD3 P35462 11/20 0.48
DRD2 P14416 10/20 0.48
HTR1A P08908 7/20 0.48
HTR2A P28223 7/20 0.48
DRD1 P21728 5/20 0.48
TMEM97 Q5BJF2 4/20 0.48
DRD5 P21918 3/20 0.48
HTR2C P28335 5/20 0.47
DRD4 P21917 4/20 0.47
HRH1 P35367 3/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
SLC6A4 P31645 2/20 0.45
HTR7 P34969 2/20 0.45

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
SCHEMBL7949350 0.99 SIGMAR1 (0.50) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7949455 0.89 MAPK1 (0.46) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7957460 0.89 HTR1A (0.48) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7957292 0.88 SIGMAR1 (0.52) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7949256 0.88 THRB (0.47) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7963783 0.82 DRD2 (0.48) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7960226 0.81 DRD2 (0.47) SIGMAR1DRD3DRD2HTR1AHTR2A
SCHEMBL7957237 0.79 SIGMAR1 (0.53) SIGMAR1DRD2HTR1ASMN1; SMN2
SCHEMBL7949032 0.78 SIGMAR1 (0.52) SIGMAR1DRD2HTR1ASMN1; SMN2
Hydrochloric Acid SCHEMBL11637430 0.73 KDM4E (0.67) SIGMAR1DRD3DRD2HTR1AHTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed