SCHEMBL7949574

SCHEMBL7949574

NNC(=O)NNCCCN1CCC(c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.46
DRD3 P35462 6/20 0.46
DRD4 P21917 2/20 0.46
OPRL1 P41146 2/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR1A P08908 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
IDO1 P14902 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CCR2 P41597 2/20 0.40

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
SCHEMBL7957582 0.91 OPRL1 (0.45) DRD2DRD3DRD4OPRL1OPRM1
SCHEMBL7957071 0.83 DRD2 (0.54) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7949576 0.82 DRD2 (0.48) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7957632 0.81 CCR2 (0.42) DRD2DRD3DRD4CCR2
SCHEMBL7961177 0.81 OPRL1 (0.44) DRD2OPRL1CCR2
SCHEMBL7949578 0.81 DRD2 (0.46) DRD2DRD3HTR1AHTR2ACCR2
SCHEMBL7960161 0.80 CCR2 (0.53) DRD2DRD3DRD4HTR1AHTR2A
SCHEMBL7949530 0.80 DRD2 (0.56) DRD2DRD3DRD4
SCHEMBL7961256 0.79 CCR2 (0.39) DRD2OPRL1OPRM1OPRK1SLC6A2
SCHEMBL7959645 0.79 CCR3 (0.42) DRD2DRD3HTR1AHTR2AHTR2C

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