SCHEMBL29561225

SCHEMBL29561225

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRCP P42785 1/20 0.46
▸ F2 P00734 2/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ OPRM1 P35372 7/20 0.45
▸ OPRK1 P41145 6/20 0.45
▸ EPHA2 P29317 2/20 0.45
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 1/20 0.43

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
SCHEMBL9815799 0.96 OPRM1 (0.49) PRCPF2PRSS1OPRM1OPRK1
SCHEMBL30540072 0.91 OPRM1 (0.50) F2OPRM1OPRK1EPHA2NMUR2
SCHEMBL31437210 0.91 ACE (0.44) PRCPF2PRSS1OPRM1OPRK1
SCHEMBL29561678 0.88 CTRB1 (0.42) PRCPF2OPRM1OPRK1
SCHEMBL29812564 0.88 PRCP (0.43) PRCPOPRM1OPRK1
SCHEMBL31437193 0.87 PRCP (0.51) PRCP
SCHEMBL31467758 0.87 PRCP (0.46) PRCPOPRM1OPRK1EPHA2
SCHEMBL31467771 0.85 PRCP (0.43) PRCPF2OPRM1OPRK1EPHA2
SCHEMBL29693015 0.85 OPRM1 (0.53) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL29872221 0.85 DPP4 (0.52) OPRM1OPRK1EPHA2NMUR2NMUR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110204611-B Solid phase fragment method for synthesizing bivalirudin 海南中和药业股份有限公司 2023-11-07 — — CN claimed
CN-110204611-B Solid phase fragment method for synthesizing bivalirudin 海南中和药业股份有限公司 2023-11-07 — — CN disclosed
US-11643439-B2 Multi-target compound with anticoagulation and antiplatelet activity, preparation method therefor, and use thereof SHAANXI MICOT TECHNOLOGY LIMITED COMPANY (CN) 2023-05-09 — — US disclosed
CN-107406480-B Peptide synthesis method JITSUBO株式会社 2022-06-24 — — CN disclosed
CN-112062835-B Preparation method of bivalirudin 扬子江药业集团四川海蓉药业有限公司 2022-04-26 — — CN disclosed
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