SCHEMBL6517513

SCHEMBL6517513

CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)CNC(=O)CN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.45
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
ECE1 P42892 2/20 0.44
CTSB P07858 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.41
MMP8 P22894 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
FOLH1 Q04609 2/20 0.40
MME P08473 3/20 0.39
PSMB5 P28074 1/20 0.38

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
SCHEMBL8717878 0.89 ECE1 (0.47) ECE1CTSBALDH1A1MEN1KMT2A
SCHEMBL901075 0.89 ECE1 (0.47) ECE1CTSBALDH1A1MEN1KMT2A
SCHEMBL5852103 0.89 ECE1 (0.47) ECE1CTSBALDH1A1MEN1KMT2A
SCHEMBL9389801 0.88 ECE1 (0.46) OPRM1OPRD1OPRK1ECE1CTSB
SCHEMBL8030981 0.88 ECE1 (0.46) OPRM1OPRD1OPRK1ECE1CTSB
SCHEMBL7025870 0.88 ECE1 (0.46) OPRM1OPRD1OPRK1ECE1CTSB
SCHEMBL19967700 0.88 ALDH1A1 (0.53) OPRM1OPRD1OPRK1ALDH1A1MAPT
SCHEMBL15757059 0.88 ALDH1A1 (0.53) OPRM1OPRD1OPRK1ALDH1A1MAPT
SCHEMBL8017457 0.88 ALDH1A1 (0.53) OPRM1OPRD1OPRK1ALDH1A1MAPT
SCHEMBL29883433 0.87 MME (0.47) OPRM1OPRD1OPRK1CTSBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050037343-A1 Three dimensional format biochips BIOCEPT, INC. 2005-02-17 US disclosed