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Sugi Predict / Compounds / SCHEMBL7212286

SCHEMBL7212286

SCHEMBL7212286

O=C1[C@H](NC(=O)C(c2ccccc2)(C(F)(F)F)C(F)(F)F)N=C(c2ccccc2)c2ccccc2N1CC(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 3/20 0.64
▸ CALCRL Q16602 16/20 0.57
▸ RAMP1 O60894 3/20 0.55
▸ CCKBR P32239 1/20 0.53

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
SCHEMBL8223082 0.86 KCNH2 (0.73) KCNH2CALCRLRAMP1
SCHEMBL8462904 0.80 KCNH2 (0.77) KCNH2CALCRLRAMP1CCKBR
SCHEMBL8466302 0.80 KCNH2 (0.76) KCNH2CALCRLRAMP1CCKBR
SCHEMBL7207980 0.80 KCNH2 (0.81) KCNH2CALCRLRAMP1
SCHEMBL8462639 0.79 KCNH2 (0.77) KCNH2CALCRLRAMP1CCKBR
SCHEMBL8846319 0.79 KCNH2 (0.77) KCNH2CALCRLRAMP1CCKBR
SCHEMBL8463081 0.79 KCNH2 (0.85) KCNH2CALCRLRAMP1CCKBR
SCHEMBL8462992 0.79 KCNH2 (0.82) KCNH2CALCRLRAMP1
SCHEMBL8420210 0.79 KCNH2 (0.72) KCNH2CALCRLRAMP1CCKBR
SCHEMBL7212280 0.79 KCNH2 (0.72) KCNH2CALCRLRAMP1CCKBR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907644-A4 PHARMACEUTICAL PREPARATION MERCK & CO INC (US) 2003-02-05 — — EP disclosed
EP-0907644-A1 PHARMACEUTICAL PREPARATION Merck & Co., Inc. (US) 1999-04-14 — — EP disclosed
WO-1998000405-A1 PHARMACEUTICAL PREPARATION MERCK & CO., INC. (US) 1998-01-08 — — WO disclosed