SCHEMBL9698744

SCHEMBL9698744

C[C@]1(CCCCCN2CCCCC2)CO[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 16/20 0.59
SIGMAR1 Q99720 2/20 0.38
ADRA1A P35348 1/20 0.37
KCNH2 Q12809 1/20 0.37
HRH3 Q9Y5N1 1/20 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
SCHEMBL9698127 0.90 SOAT1 (0.64) SOAT1SIGMAR1KCNH2
SCHEMBL9700090 0.86 SOAT1 (0.51) SOAT1
SCHEMBL9700428 0.83 SOAT1 (0.49) SOAT1
SCHEMBL9698957 0.83 SOAT1 (0.49) SOAT1
SCHEMBL9700155 0.83 SOAT1 (0.65) SOAT1
SCHEMBL9697928 0.83 SOAT1 (0.65) SOAT1
SCHEMBL9699265 0.82 SOAT1 (0.63) SOAT1SIGMAR1
SCHEMBL9697934 0.82 SOAT1 (0.64) SOAT1
SCHEMBL9697918 0.82 SOAT1 (0.64) SOAT1
SCHEMBL9698749 0.81 SOAT1 (0.40) SOAT1ADRA1AKCNH2HRH3

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
WO-1992017470-A1 IMIDAZOLES RHONE-POULENC RORER LIMITED (GB) 1992-10-15 WO disclosed
EP-0506437-A1 Imidazoles RHONE POULENC RORER LIMITED (GB) 1992-09-30 EP disclosed