SCHEMBL17152305

SCHEMBL17152305

C[C@@H](C[CH]C(=O)N1CCC(N(C)Cc2ccccc2)CC1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LTA4H P09960 2/20 0.42
SIGMAR1 Q99720 3/20 0.41
OPRM1 P35372 2/20 0.41
HPGD P15428 1/20 0.39
MCHR1 Q99705 1/20 0.39
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
OPRD1 P41143 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHRM1 P11229 1/20 0.38
HRH1 P35367 1/20 0.38
DRD2 P14416 1/20 0.37

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
SCHEMBL17152322 0.87 KMT2A (0.48) KMT2AMEN1OPRM1OPRD1KDM4E
SCHEMBL7040137 0.82 CACNA1B (0.57)
SCHEMBL7045450 0.81 CACNA1B (0.50)
SCHEMBL17152358 0.80 FGFR1 (0.32)
SCHEMBL7045046 0.78 CACNA1B (0.57)
SCHEMBL7040536 0.78 CACNA1B (0.46) KMT2AMEN1
SCHEMBL7038867 0.77 CACNA1B (0.56)
SCHEMBL7040020 0.77 CACNA1B (0.48) KDM4E
SCHEMBL785972 0.77 JAK2 (0.54) AGTR2JAK2JAK1KMT2AMEN1
SCHEMBL17152463 0.77 ALDH1A1 (0.52) KMT2AMEN1HPGDKDM4ECYP2D6

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