SCHEMBL11685692

SCHEMBL11685692

CSCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.68
ANPEP P15144 1/20 0.68
POLB P06746 1/20 0.53
FNTA P49354 6/20 0.52
FNTB P49356 6/20 0.52
PGGT1B P53609 5/20 0.52
KMT2A Q03164 1/20 0.52
LTA4H P09960 1/20 0.51

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
Hydrochloric Acid SCHEMBL11681328 0.99 MME (0.67) MMEANPEPPOLBFNTAFNTB
Hydrochloric Acid SCHEMBL11608856 0.95 MME (0.62) MMEANPEPPOLBFNTAFNTB
Hydrochloric Acid SCHEMBL11608559 0.95 MME (0.62) MMEANPEPPOLBFNTAFNTB
Hydrochloric Acid SCHEMBL11605772 0.91 MME (0.58) MMEANPEPPOLBFNTAFNTB
SCHEMBL8601116 0.91 OPRK1 (0.57) MMEANPEPFNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8763367 0.89 OPRK1 (0.56) MMEANPEPFNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL11608562 0.87 MME (0.58) MMEANPEPPOLBFNTAFNTB
SCHEMBL2544520 0.87 FNTA (0.66) FNTAFNTBPGGT1BKMT2ALTA4H
SCHEMBL13093207 0.87 FNTA (0.66) FNTAFNTBPGGT1BKMT2ALTA4H
SCHEMBL4765841 0.87 FNTA (0.66) FNTAFNTBPGGT1BKMT2ALTA4H

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-4028319-A 2 AND 3-SUBSTITUTED ENKEPHALINS G. D. SEARLE & CO. (US) 1977-06-07 US disclosed