SCHEMBL7960011

SCHEMBL7960011

Clc1ccc(N2CCN(CCCc3c[nH]c4c3CCCC4)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
DRD2 P14416 10/20 0.49
DRD3 P35462 10/20 0.49
HTR1A P08908 8/20 0.49
HTR2A P28223 6/20 0.49
DRD1 P21728 6/20 0.49
TMEM97 Q5BJF2 3/20 0.49
DRD5 P21918 3/20 0.49
HTR2C P28335 3/20 0.48
HRH1 P35367 2/20 0.48
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
HTR1D P28221 1/20 0.45
HTR1B P28222 1/20 0.45
DRD4 P21917 2/20 0.45
SLC6A4 P31645 2/20 0.43
HTR7 P34969 2/20 0.43

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
SCHEMBL7961169 0.88 MAPT (0.45) DRD2HTR1AHTR1DHTR1BSLC6A4
SCHEMBL7961060 0.88 HTR1A (0.54) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL7959526 0.88 MPO (0.55) SIGMAR1DRD2HTR1AHTR1DHTR1B
SCHEMBL5414463 0.81 MPO (0.47) SIGMAR1DRD2HTR1AHTR2AHRH1
SCHEMBL5396500 0.80 MAPT (0.49) SIGMAR1DRD2HTR1AHTR2AHTR2C
SCHEMBL5402430 0.79 HTR1D (0.45) SIGMAR1DRD2HTR1AKDM4EHTR1D
SCHEMBL6613728 0.77 SIGMAR1 (0.44) SIGMAR1DRD2HTR1AHTR1DHTR1B
SCHEMBL7957648 0.77 SIGMAR1 (0.52) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL7960945 0.76 HTR1A (0.55) SIGMAR1DRD2DRD3HTR1AHTR2A
SCHEMBL6601965 0.75 SPHK1 (0.40) DRD2HTR1AHTR1DHTR1B

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