SCHEMBL7964089

SCHEMBL7964089

NNC(=O)CCCN1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.64
SIGMAR1 Q99720 11/20 0.62
HTR1A P08908 2/20 0.50
PARP1 P09874 1/20 0.46
CYP2D6 P10635 1/20 0.45
THPO P40225 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
SCHEMBL7963788 0.89 SIGMAR1 (0.52) DRD2SIGMAR1HTR1APARP1
SCHEMBL7961374 0.88 SIGMAR1 (0.57) DRD2SIGMAR1
SCHEMBL7961488 0.88 DRD2 (0.64) DRD2SIGMAR1HTR1A
SCHEMBL7959614 0.86 DRD2 (0.56) DRD2SIGMAR1HTR1A
SCHEMBL7963861 0.86 DRD2 (0.53) DRD2SIGMAR1
SCHEMBL7957221 0.85 SIGMAR1 (0.55) DRD2SIGMAR1HTR1APARP1
SCHEMBL7961334 0.83 SIGMAR1 (0.57) DRD2SIGMAR1HTR1A
SCHEMBL7964085 0.81 SIGMAR1 (0.55) DRD2SIGMAR1HTR1APARP1CYP2D6
SCHEMBL8010714 0.81 SIGMAR1 (0.72) DRD2SIGMAR1PARP1
SCHEMBL6367176 0.81 DRD2 (0.61) DRD2SIGMAR1HTR1APARP1CYP2D6

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