SCHEMBL5154507

SCHEMBL5154507

CC(=O)NCCc1cc(C)c(Cl)cc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 4/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
THRB P10828 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
STS P08842 3/20 0.41
GPR119 Q8TDV5 1/20 0.40

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
SCHEMBL5150276 0.85 MAPT (0.44) MEN1KMT2ATP53MAPTLMNA
SCHEMBL4004428 0.84 MAPT (0.47) MEN1KMT2ATP53MAPTLMNA
SCHEMBL4465793 0.84 MAPT (0.47) MEN1KMT2ATP53MAPTLMNA
SCHEMBL6832842 0.83 MEN1 (0.47) MEN1KMT2ATP53MAPTLMNA
SCHEMBL4454518 0.81 GPR119 (0.44) MEN1KMT2ATP53MAPTLMNA
SCHEMBL5148361 0.81 MAPT (0.44) MEN1KMT2ATP53MAPTLMNA
SCHEMBL13671300 0.79 MAPT (0.48) MEN1KMT2ATP53MAPTLMNA
SCHEMBL13671244 0.78 MAPT (0.49) MEN1KMT2ATP53MAPTPOLB
SCHEMBL4459096 0.78 KMT2A (0.45) MEN1KMT2ATP53MAPTTHRB
SCHEMBL19702760 0.77 MAPT (0.53) MEN1KMT2AMAPTTHRBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773347-A4 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2007-09-05 EP disclosed
EP-1773347-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2007-04-18 EP disclosed
WO-2006019787-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2006-02-23 WO disclosed