SCHEMBL17152606

SCHEMBL17152606

CC[C@H](C)NC(=O)[CH]CC(C)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
RAB9A P51151 2/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
KMT2A Q03164 2/20 0.33
EPHX1 P07099 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL17152577 0.86 CA12 (0.36) MMP1MMP2TAS1R3TAS1R1SMN1; SMN2
SCHEMBL17152493 0.84 MLYCD (0.33) ALDH1A1
SCHEMBL17152161 0.81 KDM1A (0.31)
SCHEMBL17152507 0.81 HPGD (0.36) RAB9AKMT2AMEN1HPGDKDM4E
SCHEMBL17152259 0.78 LMNA (0.43) KMT2AMEN1ALDH1A1
SCHEMBL14889661 0.77 CHRNB2 (0.39)
SCHEMBL7946317 0.77 CHRNB2 (0.39)
SCHEMBL5209088 0.77 MMP1 (0.47) MMP1MMP2MMP3TAS1R3TAS1R1
SCHEMBL5206148 0.73 MMP1 (0.44) MMP1MMP2MMP3TAS1R3TAS1R1
SCHEMBL6180848 0.72 DPP4 (0.31)

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