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SCHEMBL1835677

SCHEMBL1835677

Cc1cccc(-c2ccccc2C(=O)N2CCCC(Nc3ccc(C(F)(F)F)cn3)C2)c1C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HCRTR1 O43613 13/20 0.49
▸ HCRTR2 O43614 10/20 0.49
▸ MAP3K12 Q12852 1/20 0.48
▸ SYK P43405 1/20 0.45

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
SCHEMBL1835672 0.87 MAP3K12 (0.50) HCRTR1HCRTR2MAP3K12
SCHEMBL1141302 0.86 MAP3K12 (0.51) HCRTR1HCRTR2MAP3K12SYK
SCHEMBL1141304 0.86 MAP3K12 (0.51) HCRTR1HCRTR2MAP3K12SYK
SCHEMBL20144838 0.84 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697648 0.84 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144856 0.83 HCRTR1 (0.66) LMNAHCRTR1HCRTR2MAP3K12
SCHEMBL20144938 0.83 HCRTR1 (0.66) LMNAHCRTR1HCRTR2MAP3K12
SCHEMBL1835674 0.82 MAP3K12 (0.49) HCRTR1HCRTR2MAP3K12
SCHEMBL18697642 0.81 HCRTR2 (0.69) KDM4ELMNAHTTSMN1; SMN2HCRTR1
SCHEMBL20144784 0.81 HCRTR2 (0.69) KDM4ELMNAHTTSMN1; SMN2HCRTR1

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-2318367-A1 PIPERIDINE AND PYRROLIDINE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2011-05-11 — — EP disclosed