SCHEMBL7961177

SCHEMBL7961177

NNC(=O)NNCCCN1CCC(c2ccc(Cl)cc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 5/20 0.44
CCR2 P41597 5/20 0.44
DRD2 P14416 1/20 0.40
ADRA1A P35348 3/20 0.39
MCHR1 Q99705 1/20 0.39
ADRA1D P25100 2/20 0.39
ADRA1B P35368 2/20 0.39

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
SCHEMBL7957632 0.88 CCR2 (0.42) CCR2DRD2
SCHEMBL7964064 0.84 CCR2 (0.48) CCR2DRD2ADRA1AADRA1DADRA1B
SCHEMBL7949578 0.83 DRD2 (0.46) CCR2DRD2ADRA1AMCHR1ADRA1D
SCHEMBL7961179 0.83 DRD2 (0.47) OPRL1CCR2DRD2
SCHEMBL7960161 0.83 CCR2 (0.53) CCR2DRD2MCHR1
SCHEMBL7963813 0.82 ADRA1A (0.47) CCR2DRD2ADRA1AADRA1DADRA1B
SCHEMBL7949574 0.81 DRD2 (0.46) OPRL1CCR2DRD2
SCHEMBL7957582 0.81 OPRL1 (0.45) OPRL1CCR2DRD2ADRA1AADRA1D
SCHEMBL7959645 0.79 CCR3 (0.42) CCR2DRD2
SCHEMBL7961470 0.79 DRD2 (0.49) DRD2

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