SCHEMBL17152425

SCHEMBL17152425

CC(C)C[C@H](N)C(=O)NCC1COCCO1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ARG1 P05089 1/20 0.38
ARG2 P78540 1/20 0.38
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
SLC7A5 Q01650 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL16750112 0.82 ALDH1A1 (0.43) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL17152522 0.82 MEN1 (0.52) ALDH1A1RXFP1KDM4EMEN1KMT2A
SCHEMBL17152403 0.82 MEN1 (0.52) ALDH1A1RXFP1KDM4EMEN1KMT2A
SCHEMBL6512150 0.82 MEN1 (0.52) ALDH1A1RXFP1KDM4EMEN1KMT2A
SCHEMBL17152615 0.81 MEN1 (0.51) ALDH1A1RXFP1KDM4EMEN1KMT2A
SCHEMBL18420823 0.77 ACKR3 (0.42) ALDH1A1ARG1ARG2RXFP1KDM4E
SCHEMBL17152568 0.76 ALDH1A1 (0.44) ALDH1A1ARG1ARG2RXFP1KDM4E
SCHEMBL18420992 0.75 ARG1 (0.45) ARG1ARG2SLC7A5
SCHEMBL19478684 0.74 PLK1 (0.33) ALDH1A1L3MBTL1MAPTKDM4EMEN1
SCHEMBL19478688 0.74 PLK1 (0.33) ALDH1A1L3MBTL1MAPTKDM4EMEN1

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