SCHEMBL17152216

SCHEMBL17152216

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ NOX1 Q9Y5S8 3/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 3/20 0.46
▸ POLB P06746 2/20 0.46
▸ MCL1 Q07820 2/20 0.46
▸ PLK1 P53350 1/20 0.44
▸ LMNA P02545 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ GFER P55789 2/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43

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
SCHEMBL17152485 0.82 TGM2 (0.49) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL17152538 0.80 TGM2 (0.54) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL17152412 0.75 ALDH1A1 (0.46) MAPTMEN1KMT2ASMN1; SMN2GAA
SCHEMBL11054444 0.74 MAPT (0.66) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL1262239 0.73 TGM2 (0.61) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL12190068 0.72 MAPT (0.60) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL12172762 0.71 NR4A1 (0.71) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL18421181 0.70 HRH3 (0.45) MAPTKMT2ASMN1; SMN2GAAL3MBTL1
SCHEMBL5567507 0.69 P2RY1 (0.41) MAPTNPC1SMN1; SMN2TDP1L3MBTL1
SCHEMBL17152313 0.69 ALDH1A1 (0.46) MEN1KMT2ATDP1GAALMNA

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
Send feedback