SCHEMBL9567713

SCHEMBL9567713

CCCCCCCCO[C@@H]1CCC(C)(C)C[C@H]1NC(=O)CN

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.36
GBA1 P04062 2/20 0.36
TRPV1 Q8NER1 4/20 0.35
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
TLR2 O60603 2/20 0.34

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
SCHEMBL9567708 1.00 EPHX2 (0.36) EPHX2GBA1TRPV1CNR1CNR2
SCHEMBL9567695 0.79 TRPV1 (0.38) EPHX2TRPV1CNR1CNR2
SCHEMBL9567697 0.79 TRPV1 (0.38) EPHX2TRPV1CNR1CNR2
SCHEMBL9567721 0.77 HTR2C (0.41) EPHX2GBA1
SCHEMBL9250532 0.75 GBA1 (0.42) EPHX2GBA1
SCHEMBL9243674 0.75 GBA1 (0.42) EPHX2GBA1
SCHEMBL9246825 0.75 GBA1 (0.43) EPHX2GBA1
SCHEMBL9249282 0.75 GBA1 (0.43) EPHX2GBA1
SCHEMBL9567689 0.74 TRPV1 (0.43) TRPV1CNR1CNR2
SCHEMBL9567681 0.74 TRPV1 (0.43) TRPV1CNR1CNR2

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-0524439-A1 Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) 1993-01-27 EP claimed