SCHEMBL17152308

SCHEMBL17152308

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

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.57
OPRD1 P41143 2/20 0.52
AGTR2 P50052 2/20 0.49
KMT2A Q03164 2/20 0.48
DPP7 Q9UHL4 1/20 0.47
MEN1 O00255 1/20 0.47
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45

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
SCHEMBL17152324 0.86 CACNA1B (0.53) CACNA1BOPRD1KMT2ADPP7MEN1
SCHEMBL7040140 0.81 CACNA1B (0.79) CACNA1BOPRD1DPP7
SCHEMBL7045451 0.80 CACNA1B (0.73) CACNA1BOPRD1KMT2ADPP7
SCHEMBL785972 0.80 JAK2 (0.54) AGTR2KMT2AMEN1JAK2JAK1
SCHEMBL17152359 0.79 DPP4 (0.43) CACNA1BOPRD1KMT2ADPP7
SCHEMBL7280301 0.79 LTA4H (0.63) AGTR2KMT2AMEN1JAK2JAK1
SCHEMBL4291577 0.77 CACNA1B (0.49) CACNA1BOPRD1KMT2A
SCHEMBL4286101 0.77 CACNA1B (0.49) CACNA1BOPRD1KMT2A
SCHEMBL4277519 0.77 CACNA1B (0.49) CACNA1BOPRD1KMT2A
SCHEMBL7040537 0.77 CACNA1B (0.59) CACNA1BOPRD1KMT2A

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