SCHEMBL15618332

SCHEMBL15618332

CC(C)C[C@H](N)CSc1nnc[nH]1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ NFKB1 P19838 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ GMNN O75496 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ANPEP P15144 1/20 0.31
▸ ERAP2 Q6P179 1/20 0.31
▸ ERAP1 Q9NZ08 1/20 0.31

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
Hydrochloric Acid SCHEMBL15618665 0.98 LMNA (0.43) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL24387886 0.71 SCN10A (0.42) CYP3A4CYP2D6TSHRNFKB1THPO
Hydrochloric Acid SCHEMBL27127616 0.70 SCN10A (0.41) CYP3A4CYP2D6TSHRNFKB1THPO
Hydrochloric Acid SCHEMBL26965348 0.70 SCN10A (0.41) CYP3A4CYP2D6TSHRNFKB1THPO
SCHEMBL15618528 0.68 AAK1 (0.41) TSHRLMNAMAPTSMN1; SMN2TDP1
SCHEMBL15618861 0.66 SCN5A (0.30) —
SCHEMBL16186178 0.65 — —
Hydrochloric Acid SCHEMBL15618485 0.65 LMNA (0.31) LMNAGMNNMAPTPMP22SMN1; SMN2
SCHEMBL15618330 0.63 EPHX1 (0.31) —
SCHEMBL18774935 0.61 — —

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 8 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
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
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
US-9156796-B2 Benzoimidazole-carboxylic acid amide derivatives as APJ receptor modulators SANOFI (FR) 2015-10-13 — — US disclosed
EP-2897939-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2015-07-29 — — EP disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 — — WO disclosed
WO-2014044738-A1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES AS APJ RECEPTOR MODULATORS SANOFI (FR) 2014-03-27 — — WO disclosed
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