SCHEMBL31124685

SCHEMBL31124685

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.42
ITGA2B P08514 2/20 0.42
OPRM1 P35372 7/20 0.40
OPRK1 P41145 7/20 0.40
EPHA2 P29317 2/20 0.38
APLNR P35414 1/20 0.38
NMUR2 Q9GZQ4 1/20 0.37
NMUR1 Q9HB89 1/20 0.37
F2 P00734 2/20 0.37
NTMT1 Q9BV86 1/20 0.37
CXCR4 P61073 1/20 0.37
F10 P00742 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
SCHEMBL4190053 0.92 ACE (0.42) OPRM1OPRK1EPHA2APLNRNTMT1
SCHEMBL7444428 0.92 ACE (0.42) OPRM1OPRK1EPHA2APLNRNTMT1
SCHEMBL10340262 0.92 ACE (0.42) OPRM1OPRK1EPHA2APLNRNTMT1
SCHEMBL4190057 0.92 ACE (0.42) OPRM1OPRK1EPHA2APLNRNTMT1
SCHEMBL31124688 0.92 OPRM1 (0.41) OPRM1OPRK1EPHA2NMUR2NMUR1
SCHEMBL27445701 0.92 ACE (0.42) OPRM1OPRK1EPHA2APLNRNTMT1
SCHEMBL30563220 0.91 NTMT1 (0.41) ITGB3ITGA2BOPRM1OPRK1APLNR
SCHEMBL5863304 0.91 EPHA2 (0.41) OPRM1OPRK1EPHA2APLNRNTMT1
SCHEMBL31124690 0.90 OPRM1 (0.43) OPRM1OPRK1EPHA2NMUR2NMUR1
Acetic Acid SCHEMBL31151814 0.89 OPRM1 (0.42) OPRM1OPRK1EPHA2APLNRF2

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
CN-118684727-A GPRP series peptide modified dabigatran derivative, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN claimed
CN-118684727-A GPRP series peptide modified dabigatran derivative, synthesis, activity and application thereof 首都医科大学 2024-09-24 CN disclosed