SCHEMBL29882808

SCHEMBL29882808

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.50
▸ OPRM1 P35372 5/20 0.50
▸ MME P08473 3/20 0.50
▸ SLC6A2 P23975 1/20 0.45
▸ CTSC P53634 1/20 0.42
▸ ECE1 P42892 1/20 0.42
▸ OPRK1 P41145 2/20 0.40
▸ GNPAT O15228 1/20 0.40
▸ BACE1 P56817 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
SCHEMBL29456530 1.00 OPRD1 (0.50) OPRD1OPRM1MMESLC6A2CTSC
SCHEMBL30746746 0.98 OPRD1 (0.49) OPRD1OPRM1MMESLC6A2CTSC
SCHEMBL31453800 0.92 OPRM1 (0.40) OPRD1OPRM1MMESLC6A2ECE1
SCHEMBL30254475 0.90 OPRM1 (0.39) OPRD1OPRM1MMESLC6A2ECE1
SCHEMBL31063872 0.90 OPRD1 (0.44) OPRD1OPRM1OPRK1BACE1
SCHEMBL30799513 0.89 BACE1 (0.49) OPRD1OPRM1MMEBACE1
SCHEMBL30009160 0.88 CALCRL (0.48) OPRD1OPRM1OPRK1BACE1
SCHEMBL31039959 0.88 MME (0.45) OPRD1OPRM1MMESLC6A2
SCHEMBL31259942 0.88 MME (0.47) MMEGNPAT
SCHEMBL30578424 0.88 MME (0.47) MMEGNPAT

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
CN-109310727-B Conditionally active heterodimeric polypeptides and methods of use thereof 加利福尼亚大学董事会 2022-09-27 — — CN disclosed
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