SCHEMBL7964116

SCHEMBL7964116

Brc1ccc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 9/20 0.45
SIGMAR1 Q99720 9/20 0.41

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
SCHEMBL7959657 0.91 SIGMAR1 (0.51) PARP1SIGMAR1
SCHEMBL7960204 0.90 SIGMAR1 (0.52) PARP1SIGMAR1
SCHEMBL7963856 0.88 SIGMAR1 (0.53) PARP1SIGMAR1
SCHEMBL7961243 0.87 SIGMAR1 (0.54) PARP1SIGMAR1
SCHEMBL7959607 0.86 PARP1 (0.41) PARP1SIGMAR1
SCHEMBL7956980 0.85 SIGMAR1 (0.56) PARP1SIGMAR1
SCHEMBL7949114 0.84 SIGMAR1 (0.42) PARP1SIGMAR1
SCHEMBL7959426 0.83 PARP1 (0.46) PARP1SIGMAR1
SCHEMBL7949615 0.81 PARP1 (0.39) PARP1SIGMAR1
SCHEMBL7963950 0.81 PARP1 (0.43) PARP1SIGMAR1

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