SCHEMBL7961282

SCHEMBL7961282

CCOC(=O)CCCN1CC=C(c2ccc(C)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 12/20 0.52
DRD2 P14416 1/20 0.50
HTR1A P08908 2/20 0.47
S1PR1 P21453 1/20 0.46
S1PR3 Q99500 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
SUV39H2 Q9H5I1 1/20 0.45
PARP1 P09874 1/20 0.45

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
SCHEMBL7957644 0.92 DRD2 (0.61) SIGMAR1DRD2HTR1APPARGPPARA
SCHEMBL7959741 0.92 SIGMAR1 (0.55) SIGMAR1DRD2S1PR1S1PR3PPARG
SCHEMBL7957384 0.91 SIGMAR1 (0.55) SIGMAR1DRD2S1PR1S1PR3PPARG
SCHEMBL18937665 0.89 QDPR (0.50) SIGMAR1DRD2S1PR1S1PR3PPARG
SCHEMBL7959358 0.87 SIGMAR1 (0.55) SIGMAR1DRD2HTR1AS1PR1S1PR3
SCHEMBL7964138 0.85 DRD2 (0.54) SIGMAR1DRD2PPARGPPARASUV39H2
SCHEMBL7961255 0.85 DRD2 (0.52) SIGMAR1DRD2PPARGPPARASUV39H2
SCHEMBL8570913 0.84 PPARG (0.54) SIGMAR1DRD2PPARGPPARASUV39H2
SCHEMBL17107436 0.83 PPARG (0.42) SIGMAR1DRD2S1PR1S1PR3PPARG
SCHEMBL17107417 0.83 PPARG (0.42) SIGMAR1DRD2S1PR1S1PR3PPARG

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