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Sugi Predict / Compounds / SCHEMBL7004786

SCHEMBL7004786

SCHEMBL7004786

CC(C(=O)NC1CCC(c2ccccc2N)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 11/20 0.46
▸ KCNH2 Q12809 9/20 0.46
▸ GAA P10253 1/20 0.44
▸ IDH2 P48735 1/20 0.41
▸ CCR2 P41597 1/20 0.40
▸ GRM7 Q14831 3/20 0.39
▸ SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL6999804 0.82 TACR1 (0.42) TACR1KCNH2GAAIDH2GRM7
SCHEMBL25464184 0.69 GRM7 (0.73) GRM7SMYD3
SCHEMBL8225263 0.69 GRM7 (0.73) GRM7SMYD3
SCHEMBL25464181 0.69 GRM7 (0.73) GRM7SMYD3
SCHEMBL6998900 0.68 TACR1 (0.48) TACR1CCR2SMYD3
SCHEMBL8232845 0.67 IDH2 (0.56) IDH2CCR2SMYD3
SCHEMBL25464179 0.67 GRM7 (0.51) GAAGRM7SMYD3
SCHEMBL27672771 0.67 SMYD3 (0.53) GAAGRM7SMYD3
SCHEMBL10379794 0.67 SMYD3 (0.53) GAAGRM7SMYD3
SCHEMBL5549820 0.66 MAPT (0.54) TACR1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286967-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LTD. (GB) 2003-03-05 — — EP disclosed
WO-2001087838-A1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2001-11-22 — — WO disclosed