SCHEMBL7961243

SCHEMBL7961243

COc1ccc(C2=CCN(CCCc3onc4c3CCCCC4)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
PARP1 P09874 4/20 0.48
HTR1A P08908 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.90 SIGMAR1 (0.51) SIGMAR1PARP1
SCHEMBL7964116 0.87 PARP1 (0.45) SIGMAR1PARP1
SCHEMBL7960204 0.87 SIGMAR1 (0.52) SIGMAR1PARP1HTR1A
SCHEMBL7963856 0.86 SIGMAR1 (0.53) SIGMAR1PARP1HTR1A
SCHEMBL7956980 0.85 SIGMAR1 (0.56) SIGMAR1PARP1HTR1A
SCHEMBL7959607 0.81 PARP1 (0.41) SIGMAR1PARP1HTR1A
SCHEMBL7949114 0.81 SIGMAR1 (0.42) SIGMAR1PARP1HTR1A
SCHEMBL7959426 0.81 PARP1 (0.46) SIGMAR1PARP1PPARGPPARA
SCHEMBL7959434 0.79 DRD2 (0.50) SIGMAR1TP53SMN1; SMN2
SCHEMBL7949615 0.79 PARP1 (0.39) SIGMAR1PARP1HTR1A

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