SCHEMBL27927684

SCHEMBL27927684

CCN1CC=C(CC(=O)NC2(C(F)(F)F)C(=O)Nc3cc(Cl)cc(Cl)c32)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 15/20 0.46
ALDH1A1 P00352 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL122725 0.84 GHSR (0.55) GHSR
SCHEMBL27927685 0.79 GHSR (0.68) GHSRALDH1A1TP53MAPT
SCHEMBL124753 0.66 GHSR (0.73) GHSR
SCHEMBL122760 0.65 GHSR (0.80) GHSR
SCHEMBL124058 0.64 GHSR (0.80) GHSR
SCHEMBL122516 0.63 GHSR (0.84) GHSR
SCHEMBL122833 0.63 GHSR (1.00) GHSR
SCHEMBL1762873 0.62 HSD11B1 (0.37)
SCHEMBL22057850 0.61 SMN1; SMN2 (0.36) ALDH1A1MAPTSMN1; SMN2
SCHEMBL27927691 0.61 ALDH1A1 (0.45) GHSRALDH1A1TP53MAPT

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
CN-103443076-A Indol-2-one derivatives disubstituted in position 3, their preparation and their therapeutic application SANOFI AVENTIS 2013-12-11 CN claimed
CN-103443076-A Indol-2-one derivatives disubstituted in position 3, their preparation and their therapeutic application SANOFI AVENTIS 2013-12-11 CN disclosed