SCHEMBL17152571

SCHEMBL17152571

CC(C[CH]C(=O)N[C@@H](C)c1ccc(F)cc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ GPR139 Q6DWJ6 1/20 0.39
▸ FOLH1 Q04609 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
SCHEMBL17152457 0.84 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1GPR139
SCHEMBL17152485 0.80 TGM2 (0.49) ALDH1A1KDM4ECYP2C9CYP2C19KMT2A
SCHEMBL17152514 0.78 GAA (0.42) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL17152509 0.78 HPGD (0.51) HTTALDH1A1KDM4ELMNAKMT2A
SCHEMBL7391823 0.77 CACNA1B (0.52) CYP3A4CYP2D6KMT2AMEN1
SCHEMBL16110714 0.75 HTT (0.60) HTTALDH1A1KDM4ELMNACYP3A4
SCHEMBL14893158 0.75 HTT (0.60) HTTALDH1A1KDM4ELMNACYP3A4
SCHEMBL7391206 0.74 LMNA (0.48) HTTALDH1A1LMNAKMT2AMEN1
SCHEMBL10157138 0.73 HTT (0.54) HTTALDH1A1KDM4ELMNACYP3A4
SCHEMBL7391159 0.72 CACNA2D1 (0.49) ALDH1A1KDM4EKMT2AMEN1

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-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 — — EP disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
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