SCHEMBL7964064

SCHEMBL7964064

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.48
ADRA1A P35348 11/20 0.48
DRD2 P14416 2/20 0.45
ADRA1B P35368 10/20 0.44
ADRA1D P25100 9/20 0.44
HRH1 P35367 2/20 0.43
ADRA2A P08913 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR1A P08908 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL7963813 0.93 ADRA1A (0.47) CCR2ADRA1ADRD2ADRA1BADRA1D
SCHEMBL7960161 0.88 CCR2 (0.53) CCR2DRD2HTR1AHTR2ADRD3
SCHEMBL7949578 0.86 DRD2 (0.46) CCR2ADRA1ADRD2ADRA1BADRA1D
SCHEMBL7963985 0.86 DRD2 (0.52) CCR2ADRA1ADRD2ADRA1BADRA1D
SCHEMBL7961177 0.84 OPRL1 (0.44) CCR2ADRA1ADRD2ADRA1BADRA1D
SCHEMBL7964065 0.84 DRD2 (0.53) CCR2ADRA1ADRD2DRD3
SCHEMBL7961375 0.82 SLC6A4 (0.54) ADRA1ADRD2ADRA1BADRA1DADRA2A
SCHEMBL7957650 0.81 ADRA1A (0.56) ADRA1ADRD2ADRA1BADRA1DHRH1
SCHEMBL7961236 0.81 CCR2 (0.46) CCR2ADRA1ADRD2ADRA1BADRA1D
SCHEMBL7957582 0.80 OPRL1 (0.45) CCR2ADRA1ADRD2ADRA1BADRA1D

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