SCHEMBL7957582

SCHEMBL7957582

NNC(=O)NNCCCN1CCC(c2ccccc2Cl)CC1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 3/20 0.45
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
ADRA1B P35368 2/20 0.44
HTR1A P08908 1/20 0.44
PKM P14618 1/20 0.43
CCR2 P41597 6/20 0.42
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 1/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 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
SCHEMBL7949574 0.91 DRD2 (0.46) OPRL1OPRM1OPRK1HTR1ACCR2
SCHEMBL7957071 0.85 DRD2 (0.54) HTR1ACCR2DRD2DRD3DRD4
SCHEMBL7959645 0.83 CCR3 (0.42) HTR1ACCR2DRD2DRD3CCR3
SCHEMBL7960161 0.82 CCR2 (0.53) HTR1ACCR2DRD2DRD3DRD4
SCHEMBL7957585 0.81 KMT2A (0.48) OPRL1OPRM1OPRK1ADRA1BHTR1A
SCHEMBL7957632 0.81 CCR2 (0.42) CCR2DRD2DRD3DRD4SMN1; SMN2
SCHEMBL7961177 0.81 OPRL1 (0.44) OPRL1ADRA1BCCR2DRD2ADRA1D
SCHEMBL7961256 0.81 CCR2 (0.39) OPRL1OPRM1OPRK1ADRA1BCCR2
SCHEMBL7949578 0.81 DRD2 (0.46) ADRA1BHTR1ACCR2DRD2DRD3
SCHEMBL7964064 0.80 CCR2 (0.48) ADRA1BHTR1ACCR2DRD2DRD3

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