SCHEMBL30693083

SCHEMBL30693083

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.58
OPRM1 P35372 3/20 0.55
OPRD1 P41143 3/20 0.55
OPRK1 P41145 1/20 0.55
EPHA2 P29317 2/20 0.54
BDKRB2 P30411 1/20 0.53

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
SCHEMBL30974592 0.94 F2 (0.58) F2OPRM1OPRD1OPRK1EPHA2
SCHEMBL30782709 0.93 OPRM1 (0.62) F2OPRM1OPRD1OPRK1EPHA2
SCHEMBL6497247 0.91 F2 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL2778544 0.91 F2 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL2778546 0.91 F2 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL2119635 0.91 F2 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL6850160 0.91 F2 (0.57) F2OPRM1OPRD1OPRK1
SCHEMBL30773462 0.91 F2 (0.55) F2OPRM1OPRD1OPRK1EPHA2
SCHEMBL30940242 0.91 NMUR2 (0.55) F2OPRM1OPRD1EPHA2
SCHEMBL29934589 0.91 OPRM1 (0.58) F2OPRM1OPRD1OPRK1EPHA2

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
US-20240069013-A1 GLOBAL PROTEOMIC SCREENING OF RANDOM BEAD ARRAYS USING MASS SPECTROMETRY IMAGING AMBERGEN, INC. 2024-02-29 US disclosed
US-11782056-B2 Global proteomic screening of random bead arrays using mass spectrometry imaging AMBERGEN, INC. (US) 2023-10-10 US disclosed