SCHEMBL17825489

SCHEMBL17825489

C[C@H](C(=O)O)N(C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccc(C(C)(C)C)s1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
PYGL P06737 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ACE P12821 1/20 0.35
MME P08473 4/20 0.35
KMT2A Q03164 1/20 0.35
FPR2 P25090 2/20 0.34
KIFC1 Q9BW19 2/20 0.34
ACKR3 P25106 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
SCHEMBL17825296 0.85 FPR2 (0.46) ALDH1A1CTSSCTSKNPC1RAB9A
SCHEMBL17825293 0.85 FPR2 (0.46) ALDH1A1CTSSCTSKNPC1RAB9A
SCHEMBL17968786 0.82 MME (0.47) ALDH1A1CTSSCTSKACEMME
SCHEMBL17968933 0.78 KIFC1 (0.34) MMEKIFC1
SCHEMBL19465504 0.78 KIFC1 (0.34) MMEKIFC1
SCHEMBL22384302 0.77 CTSS (0.47) ALDH1A1CTSSCTSKNPC1RAB9A
SCHEMBL17834705 0.77 CTSS (0.47) ALDH1A1CTSSCTSKNPC1RAB9A
SCHEMBL15018831 0.77 CA1 (0.51) ACEMMEKMT2A
SCHEMBL28547454 0.77 CA1 (0.51) ACEMMEKMT2A
SCHEMBL22384235 0.76 MCL1 (0.44) CTSSCTSKNPC1RAB9ARXFP1

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-3230276-A1 GLP-1 RECEPTOR MODULATORS Celgene International II Sarl (CH) 2017-10-18 EP disclosed
WO-2016094729-A1 GLP-1 RECEPTOR MODULATORS CELGENE INTERNATIONAL II SARL (CH) 2016-06-16 WO disclosed