SCHEMBL7959645

SCHEMBL7959645

NNC(=O)NNCCCN1CCC(c2cc(C(F)(F)F)ccc2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.42
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
CCR2 P41597 8/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
SLC6A5 Q9Y345 2/20 0.37
KMT2A Q03164 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36

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
SCHEMBL7959651 0.84 ALDH1A1 (0.43) FPR3FPR2CCR2ALDH1A1KDM4E
SCHEMBL7957582 0.83 OPRL1 (0.45) CCR3CCR2HTR1ADRD2DRD3
SCHEMBL7959911 0.80 CCR1 (0.45) CCR3FPR3FPR2KDM4ECYP3A4
SCHEMBL7963813 0.79 ADRA1A (0.47) CCR2DRD2
SCHEMBL7961177 0.79 OPRL1 (0.44) CCR2DRD2
SCHEMBL7949574 0.79 DRD2 (0.46) CCR2HTR1ADRD2HTR2AHTR2C
SCHEMBL7964064 0.78 CCR2 (0.48) CCR2HTR1ADRD2HTR2ADRD3
SCHEMBL7957632 0.77 CCR2 (0.42) CCR3CCR2DRD2DRD3
SCHEMBL7963828 0.77 HTR1D (0.37) FPR3FPR2ALDH1A1HTR1ADRD2
SCHEMBL7960161 0.76 CCR2 (0.53) CCR2HTR1ADRD2HTR2ADRD3

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