SCHEMBL8796920

SCHEMBL8796920

c1c[nH]c(CN2CCNCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.60
DRD4 P21917 1/20 0.60
DRD3 P35462 1/20 0.60
SIGMAR1 Q99720 2/20 0.53
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CXCR4 P61073 9/20 0.44
MEN1 O00255 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
ADRA2C P18825 1/20 0.44
CCR2 P41597 1/20 0.44
CXCL12 P48061 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL7481395 0.98 DRD2 (0.58) DRD2DRD4DRD3SIGMAR1LMNA
SCHEMBL27563358 0.88
SCHEMBL3968181 0.88 DRD2 (0.73) DRD2DRD4DRD3SIGMAR1CCR2
SCHEMBL7682702 0.84 DRD2 (0.64) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL28770942 0.82 DRD2 (0.62) DRD2DRD4DRD3LMNAALDH1A1
SCHEMBL4827267 0.81 DRD2 (0.60) DRD2DRD4DRD3SIGMAR1CCR2
SCHEMBL260734 0.79 DRD2 (0.63) DRD2DRD4DRD3ALDH1A1CXCR4
SCHEMBL27804123 0.79 DRD2 (0.63) DRD2DRD4DRD3ALDH1A1MEN1
SCHEMBL28133126 0.79 DRD2 (0.63) DRD2DRD4DRD3LMNATDP1
SCHEMBL14375224 0.77 DRD2 (0.55) DRD2DRD4DRD3SIGMAR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0241053-B1 ARYL-SUBSTITUTED (N-PIPERIDINYL)-METHYL- AND (N-PIPERAZINYL) METHYLAZOLES HAVING ANTIPSYCHOTIC PROPERTIES DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-11-11 EP claimed
CN-102558058-B 1-aryl-3-substituent-5-substituted amino-4-pyrazole formamide compound and application thereof SHAANXI SCIENCE AND ENGINEERING COLLEGE (CN) 2014-10-29 CN disclosed
CN-102558058-A 1-aryl-3-substituent-5-substituted amino-4-pyrazole formamide compound and application thereof UNIV SHAANXI TECHNOLOGY 2012-07-11 CN disclosed
EP-0691960-B1 ANTIPSYCHOTIC BENZIMIDAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 1997-12-03 EP disclosed
EP-0241053-B1 ARYL-SUBSTITUTED (N-PIPERIDINYL)-METHYL- AND (N-PIPERAZINYL) METHYLAZOLES HAVING ANTIPSYCHOTIC PROPERTIES DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1992-11-11 EP disclosed
US-4874770-A Aryl-substituted (N-piperidinyl)methyl- and (N-piperidinyl) methylazoles having antipsychotic properties DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1989-10-17 US disclosed
US-4772604-A ANTIPSYCHOTIC AGENTS DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1988-09-20 US disclosed
EP-0241053-A1 Aryl-substituted (N-piperidinyl)-methyl- and (N-piperazinyl) methylazoles having antipsychotic properties DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-10-14 EP disclosed
EP-0241053-A1 Aryl-substituted (N-piperidinyl)-methyl- and (N-piperazinyl) methylazoles having antipsychotic properties DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-10-14 EP disclosed