SCHEMBL9702310

SCHEMBL9702310

CCCC(c1cc(C)c(OCC)c(C)c1)N1CCN(c2cc(N3CCCC3)nc(N3CCCC3)n2)CC1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 10/20 0.39
CASP5 P51878 10/20 0.39
CASP4 P49662 8/20 0.39
HRH4 Q9H3N8 1/20 0.37
GBA1 P04062 7/20 0.37

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
SCHEMBL9755195 0.68 GBA1 (0.49) CASP1CASP5CASP4HRH4GBA1
SCHEMBL9702314 0.68 CASP1 (0.46) CASP1CASP5CASP4HRH4
SCHEMBL9688169 0.68 CASP1 (0.46) CASP1CASP5CASP4HRH4GBA1
Hydrochloric Acid SCHEMBL9690239 0.67 CASP1 (0.44) CASP1CASP5CASP4HRH4GBA1
SCHEMBL29754406 0.65 CASP1 (0.80) CASP1CASP5CASP4HRH4GBA1
SCHEMBL9755199 0.65 GBA1 (0.50) CASP1CASP5CASP4HRH4GBA1
Hydrochloric Acid SCHEMBL9755192 0.65 CASP1 (0.54) CASP1CASP5CASP4HRH4GBA1
SCHEMBL8962166 0.64 CASP1 (0.77) CASP1CASP5CASP4HRH4GBA1
SCHEMBL9688140 0.63 CASP1 (0.62) CASP1CASP5CASP4HRH4GBA1
Hydrochloric Acid SCHEMBL10367476 0.62 CASP1 (0.61) CASP1CASP5CASP4HRH4GBA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5120843-A Nervous system disorders UPJOHN (US) 1992-06-09 US disclosed