SCHEMBL17152169

SCHEMBL17152169

Cc1nnc(C(N)CC(C)C)o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 2/20 0.43
MAPK1 P28482 2/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
AAK1 Q2M2I8 3/20 0.37
CASR P41180 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.32
CTSA P10619 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL17018501 0.78 CASR (0.36) L3MBTL1ALDH1A1HPGDPKMSMN1; SMN2
SCHEMBL16843059 0.76
SCHEMBL21452345 0.76
SCHEMBL19814579 0.76
SCHEMBL15362634 0.76 ALDH1A1 (0.32) ALDH1A1MAPK1TSHRCTSA
Hydrochloric Acid SCHEMBL23610844 0.74 PKM (0.43) L3MBTL1ALDH1A1HPGDPKMCTSA
SCHEMBL27335623 0.73
SCHEMBL16486797 0.69 ADRA2A (0.33) KDM4EALDH1A1LMNAPKMCTSA
SCHEMBL16252384 0.69 ALDH1A1 (0.61) L3MBTL1KDM4EALDH1A1MAPTHTT
SCHEMBL24387450 0.69 SCN5A (0.39) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2

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