SCHEMBL7964085

SCHEMBL7964085

NNC(=O)NNCCCN1CC=C(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.55
DRD2 P14416 1/20 0.53
HTR1A P08908 4/20 0.49
PARP1 P09874 1/20 0.43
CYP2D6 P10635 1/20 0.42
THPO P40225 1/20 0.42
HTR7 P34969 2/20 0.42
LMNA P02545 1/20 0.42
PMP22 Q01453 1/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 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
SCHEMBL7963787 0.90 HTR1A (0.48) SIGMAR1DRD2HTR1APARP1HTR7
SCHEMBL7961371 0.89 SIGMAR1 (0.50) SIGMAR1DRD2HTR1A
SCHEMBL7961484 0.89 SIGMAR1 (0.55) SIGMAR1DRD2HTR1A
SCHEMBL7959610 0.88 SIGMAR1 (0.48) SIGMAR1DRD2HTR1A
SCHEMBL7963865 0.87 SIGMAR1 (0.46) SIGMAR1DRD2HTR1AHTR7LMNA
SCHEMBL7957217 0.86 SIGMAR1 (0.52) SIGMAR1HTR1APARP1
SCHEMBL7961332 0.84 HTR1A (0.53) SIGMAR1DRD2HTR1APARP1HTR7
SCHEMBL7957391 0.82 HTR7 (0.47) SIGMAR1DRD2HTR1APARP1HTR7
SCHEMBL7964089 0.81 DRD2 (0.64) SIGMAR1DRD2HTR1APARP1CYP2D6
SCHEMBL7949602 0.81 DRD2 (0.44) SIGMAR1DRD2HTR1AHTR7HTR6

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