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SCHEMBL9700086

SCHEMBL9700086

CN(CCOC[C@]1(C)CO[C@@H](c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 8/20 0.47
▸ ACHE P22303 3/20 0.32
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL9700239 1.00 SOAT1 (0.47) SOAT1ACHEGAASMN1; SMN2TSHR
SCHEMBL9698703 0.95 SOAT1 (0.49) SOAT1ACHE
SCHEMBL9698932 0.89 SOAT1 (0.40) SOAT1ACHEGAASMN1; SMN2ALDH1A1
SCHEMBL9698693 0.86 SOAT1 (0.49) SOAT1
SCHEMBL9699265 0.85 SOAT1 (0.63) SOAT1ACHE
SCHEMBL9852391 0.83 SOAT1 (0.42) SOAT1SMN1; SMN2ALDH1A1
SCHEMBL9699277 0.82 SOAT1 (0.48) SOAT1TSHRALDH1A1
SCHEMBL9738043 0.80 SOAT1 (0.48) SOAT1SMN1; SMN2TSHRALDH1A1
SCHEMBL9699234 0.79 SOAT1 (0.43) SOAT1ACHE
SCHEMBL9700121 0.79 SOAT1 (0.43) SOAT1TSHRALDH1A1

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