SCHEMBL17152243

SCHEMBL17152243

C[C@@H](C[CH]C(=O)NC1CCN(Cc2cccc(F)c2)CC1)C(N)=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.59
KCNH2 Q12809 2/20 0.54
MCHR1 Q99705 2/20 0.54
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
KMT2A Q03164 1/20 0.51
UBE2M P61081 1/20 0.51
DCUN1D1 Q96GG9 1/20 0.51
CCR3 P51677 3/20 0.49
CHRM2 P08172 1/20 0.48
CHRM1 P11229 1/20 0.48
CHRM3 P20309 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL17152266 0.88 SIGMAR1 (0.56) SIGMAR1KCNH2POLBKMT2A
SCHEMBL17152595 0.82 SIGMAR1 (0.56) SIGMAR1ALDH1A1KMT2ACHRM2CHRM1
SCHEMBL17152546 0.82 SIGMAR1 (0.54) SIGMAR1KCNH2CHRM2CHRM1CHRM3
SCHEMBL17152608 0.82 BACE1 (0.53) SIGMAR1MCHR1
SCHEMBL17152224 0.80 SIGMAR1 (0.58) SIGMAR1
SCHEMBL17152474 0.79 SLC6A12 (0.48) SIGMAR1KCNH2MCHR1UBE2MDCUN1D1
SCHEMBL17152245 0.79 SIGMAR1 (0.62) SIGMAR1KCNH2MCHR1ALDH1A1POLB
SCHEMBL17152373 0.77 OPRM1 (0.55) SIGMAR1ALDH1A1POLBCHRM2CHRM1
SCHEMBL17152404 0.76 SMN1; SMN2 (0.43) ALDH1A1KMT2AUBE2MDCUN1D1
SCHEMBL6594029 0.75 UTS2R (0.55) SIGMAR1CCR3CYP2D6

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