SCHEMBL9755628

SCHEMBL9755628

CC(C)C[C@H](NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.44
OPRM1 P35372 7/20 0.44
OPRK1 P41145 3/20 0.44
F2RL1 P55085 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
NPBWR1 P48145 1/20 0.37
BACE1 P56817 1/20 0.36

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
SCHEMBL9755635 0.95 OPRD1 (0.43) OPRD1OPRM1OPRK1F2RL1GAA
SCHEMBL9755624 0.94 OPRM1 (0.42) OPRD1OPRM1OPRK1F2RL1GAA
SCHEMBL9755626 0.91 ALDH1A1 (0.42) OPRD1OPRM1OPRK1GAAKDM4E
SCHEMBL9755636 0.89 ALDH1A1 (0.45) GAAKDM4EALDH1A1POLBKMT2A
SCHEMBL9755632 0.86 KMT2A (0.43) OPRD1OPRM1OPRK1F2RL1GAA
SCHEMBL9755627 0.83 CTSB (0.45) OPRD1OPRM1OPRK1F2RL1GAA
SCHEMBL9755638 0.82 ALDH1A1 (0.46) OPRD1OPRM1OPRK1GAAKDM4E
SCHEMBL9755625 0.81 GAA (0.46) GAAKDM4EALDH1A1POLBKMT2A
SCHEMBL9755630 0.77 ALDH1A1 (0.50) GAAKDM4EALDH1A1POLBKMT2A
SCHEMBL7108630 0.76 RAB9A (0.41) OPRD1OPRM1OPRK1F2RL1GAA

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
WO-1991019984-A1 CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND APPARATUS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-12-26 WO disclosed
US-5064767-A CARBOXYL-TERMINAL PROTEIN SEQUENCING METHOD AND KIT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1991-11-12 US disclosed