SCHEMBL7768086

SCHEMBL7768086

NC(=O)c1ccc(C(=O)c2ccc(OCC=CCNCC3CC3)c(F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 2/20 0.40
PARP15 Q460N3 4/20 0.38
PARP10 Q53GL7 4/20 0.38
PARP2 Q9UGN5 2/20 0.38
OPRM1 P35372 6/20 0.38
OPRK1 P41145 6/20 0.38
KCNH2 Q12809 2/20 0.38
ACHE P22303 1/20 0.35
OPRD1 P41143 5/20 0.35
SSTR5 P35346 1/20 0.35
RXFP1 Q9HBX9 1/20 0.33

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
SCHEMBL7685431 1.00 VNN1 (0.40) VNN1PARP15PARP10PARP2OPRM1
SCHEMBL7685849 0.87 F10 (0.39) VNN1KCNH2
SCHEMBL7685436 0.78 LSS (0.57) VNN1OPRM1OPRK1KCNH2ACHE
SCHEMBL7685430 0.78 LSS (0.57) VNN1OPRM1OPRK1KCNH2ACHE
SCHEMBL6388670 0.75 ADRA1D (0.44) PARP15PARP10PARP2OPRM1OPRK1
SCHEMBL8035846 0.72 LSS (0.43) ACHE
SCHEMBL7679275 0.72 LSS (0.60) RXFP1
SCHEMBL7771941 0.72 LSS (0.60) RXFP1
SCHEMBL8047384 0.69 LSS (0.43) ACHERXFP1
SCHEMBL8904544 0.69 LSS (0.43) ACHERXFP1

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
EP-0778264-B1 Tertiary amines having antimycotic and cholesterol lowering activity HOFFMANN LA ROCHE (CH) 2001-07-11 EP claimed