SCHEMBL17152245

SCHEMBL17152245

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

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.62
KCNH2 Q12809 2/20 0.56
MCHR1 Q99705 2/20 0.56
ALDH1A1 P00352 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 1/20 0.53
UBE2M P61081 1/20 0.53
DCUN1D1 Q96GG9 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
CCR3 P51677 2/20 0.52
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50

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
SCHEMBL4846164 0.87 SIGMAR1 (0.60) SIGMAR1KCNH2ALDH1A1POLBKMT2A
SCHEMBL6207514 0.87 SIGMAR1 (0.60) SIGMAR1KCNH2ALDH1A1POLBKMT2A
SCHEMBL4846139 0.87 SIGMAR1 (0.60) SIGMAR1KCNH2ALDH1A1POLBKMT2A
SCHEMBL17152596 0.81 SIGMAR1 (0.59) SIGMAR1ALDH1A1KMT2ACYP2C19CHRM2
SCHEMBL7401888 0.81 BACE1 (0.56) SIGMAR1MCHR1ALDH1A1CYP2C19
SCHEMBL7408973 0.81 BACE1 (0.56) SIGMAR1MCHR1ALDH1A1CYP2C19
SCHEMBL17152610 0.81 BACE1 (0.56) SIGMAR1MCHR1ALDH1A1CYP2C19
SCHEMBL17152549 0.81 SIGMAR1 (0.57) SIGMAR1ALDH1A1CYP2C19CHRM2CHRM1
SCHEMBL17152243 0.79 SIGMAR1 (0.59) SIGMAR1KCNH2MCHR1ALDH1A1POLB
SCHEMBL17152225 0.78 SIGMAR1 (0.61) SIGMAR1ALDH1A1CYP2C19CCR3

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