SCHEMBL14312598

SCHEMBL14312598

COc1ccc(CNC(=O)OC2(c3ccccc3)CCN(C(=O)C3CC3c3ccccc3)CC2)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DGAT2 Q96PD7 15/20 0.46
▸ MGAT2 Q10469 5/20 0.44
▸ APP P05067 1/20 0.43
▸ MC4R P32245 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL14312315 0.91 GRIN2B (0.49) APPMC4RHRH3TDP1
SCHEMBL14312347 0.87 ALDH1A1 (0.46) DGAT2APPHRH3KDM4EALDH1A1
SCHEMBL2469571 0.87 CHRM5 (0.45) DGAT2MGAT2APPMC4R
SCHEMBL14312275 0.85 KMT2A (0.51) KDM4EALDH1A1GAATDP1
SCHEMBL14312528 0.83 USP2 (0.52) KDM4EALDH1A1GAATDP1
SCHEMBL14312594 0.82 CHRM5 (0.50) APPHRH3ALDH1A1GAA
SCHEMBL14312542 0.82 HRH3 (0.48) APPHRH3ALDH1A1
SCHEMBL14312514 0.82 KDM4E (0.49) KDM4EALDH1A1GAATDP1
SCHEMBL14312549 0.81 ALDH1A1 (0.44) KDM4EALDH1A1GAATDP1
SCHEMBL14312471 0.80 TAS1R3 (0.46) KDM4EALDH1A1GAATDP1

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-2228065-B1 Heterocyclo inhibitors of potassium channel function BRISTOL MYERS SQUIBB CO (US) 2012-12-26 — — EP claimed
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