SCHEMBL7963903

SCHEMBL7963903

NNC(=O)NNCCCN1CCC(O)(c2ccc(Cl)c(F)c2)CC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 10/20 0.50
CCR1 P32246 10/20 0.47
HTR1A P08908 1/20 0.43
DRD4 P21917 1/20 0.43
HRH2 P25021 1/20 0.43
HTR1D P28221 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR7 P34969 1/20 0.43
HRH1 P35367 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 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
SCHEMBL7949042 0.93 CCR1 (0.52) DRD2CCR1
SCHEMBL8568579 0.87 OPRM1 (0.58) DRD2CCR1HTR1ADRD4HRH2
SCHEMBL7960074 0.85 DRD2 (0.62) DRD2CCR1
SCHEMBL7957164 0.84 DRD2 (0.56) DRD2CCR1
SCHEMBL7963905 0.83 DRD2 (0.59) DRD2HTR1ADRD4HRH2HTR2A
SCHEMBL7961470 0.82 DRD2 (0.49) DRD2CCR1
SCHEMBL7963515 0.82 CCR1 (0.58) DRD2CCR1
SCHEMBL7949619 0.81 DRD2 (0.53) DRD2CCR1HTR1AHTR2AHRH1
SCHEMBL7960233 0.81 CCR1 (0.54) DRD2CCR1DRD4
SCHEMBL7959911 0.80 CCR1 (0.45) DRD2CCR1HTR1ADRD4HRH2

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