SCHEMBL7961371

SCHEMBL7961371

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

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.50
MAPT P10636 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.39
TSHR P16473 1/20 0.39
HTR1A P08908 4/20 0.39
CACNA1G O43497 1/20 0.39
KCNH2 Q12809 1/20 0.39

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) SIGMAR1MAPTDRD2HTR1A
SCHEMBL7964085 0.89 SIGMAR1 (0.55) SIGMAR1DRD2HTR1A
SCHEMBL7961484 0.89 SIGMAR1 (0.55) SIGMAR1DRD2HTR1A
SCHEMBL7957217 0.86 SIGMAR1 (0.52) SIGMAR1DRD3HTR1A
SCHEMBL7963865 0.85 SIGMAR1 (0.46) SIGMAR1MAPTDRD2HTR1A
SCHEMBL7961332 0.84 HTR1A (0.53) SIGMAR1DRD2HTR1A
SCHEMBL7959610 0.83 SIGMAR1 (0.48) SIGMAR1DRD2HTR1A
SCHEMBL7957391 0.82 HTR7 (0.47) SIGMAR1MAPTDRD2HTR1A
SCHEMBL7961374 0.81 SIGMAR1 (0.57) SIGMAR1MAPTDRD2CACNA1GKCNH2
SCHEMBL7949190 0.80 PPARG (0.43) SIGMAR1DRD2HTR1A

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