SCHEMBL7963828

SCHEMBL7963828

NNC(=O)NNCCCN1CC=C(c2cc(C(F)(F)F)ccc2Cl)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
DRD2 P14416 7/20 0.36
HTR7 P34969 6/20 0.36
HTR1A P08908 6/20 0.36
SLC6A4 P31645 5/20 0.36
HTR6 P50406 5/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
FPR3 P25089 1/20 0.36
FPR2 P25090 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
DRD4 P21917 1/20 0.35
PARP1 P09874 1/20 0.35
TRPV1 Q8NER1 2/20 0.34
CACNA1G O43497 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL7963831 0.85 DRD2 (0.42) HTR1DALDH1A1SIGMAR1DRD2PPARG
SCHEMBL7949190 0.84 PPARG (0.43) SIGMAR1DRD2HTR7HTR1ASLC6A4
SCHEMBL7963865 0.80 SIGMAR1 (0.46) SIGMAR1DRD2HTR7HTR1APPARG
SCHEMBL7949602 0.80 DRD2 (0.44) SIGMAR1DRD2HTR7HTR1ASLC6A4
SCHEMBL7949194 0.80 PPARG (0.45) SIGMAR1DRD2HTR7HTR1ASLC6A4
SCHEMBL7959610 0.79 SIGMAR1 (0.48) SIGMAR1DRD2HTR1APPARGPPARA
SCHEMBL7949420 0.79 HTR6 (0.43) SIGMAR1DRD2HTR7HTR1ASLC6A4
SCHEMBL7961484 0.78 SIGMAR1 (0.55) SIGMAR1DRD2HTR1APPARGPPARA
SCHEMBL7959645 0.77 CCR3 (0.42) ALDH1A1DRD2HTR7HTR1AHTR6
SCHEMBL7964085 0.76 SIGMAR1 (0.55) SIGMAR1DRD2HTR7HTR1AHTR6

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