SCHEMBL905146

SCHEMBL905146

Cc1cc(N(C)C(=O)C2CCC(=Nc3cccc(CCO)c3)CC2)ccc1CNC[C@H](C)N

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 11/20 0.43

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
SCHEMBL905124 0.82 MLNR (0.64) MLNR
SCHEMBL905141 0.78 MLNR (0.41) MLNR
SCHEMBL905145 0.76 MLNR (0.63) MLNR
SCHEMBL15152737 0.62 MLNR (0.80) MLNR
SCHEMBL15152739 0.62 MLNR (0.80) MLNR
SCHEMBL15152641 0.61 MLNR (0.62) MLNR
SCHEMBL15152781 0.61 MLNR (1.00) MLNR
SCHEMBL10047553 0.60 TP53 (0.46) MLNR
SCHEMBL1696998 0.59 HSD17B1 (0.46) MLNR
SCHEMBL13951549 0.58 HSD17B1 (0.46) MLNR

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
WO-2012043445-A1 CYCLOHEXANE DERIVATIVE COMPOUND 第一三共株式会社 (JP) 2012-04-05 — — WO disclosed
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