SCHEMBL31447574

SCHEMBL31447574

NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]1CCCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.43
▸ ACE P12821 3/20 0.43
▸ NTMT1 Q9BV86 2/20 0.42
▸ APLNR P35414 2/20 0.41
▸ GRB2 P62993 1/20 0.39
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ OPRK1 P41145 1/20 0.38

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
SCHEMBL31447553 1.00 F2 (0.43) F2ACENTMT1APLNRGRB2
SCHEMBL30832764 0.89 F2 (0.43) F2ACENTMT1APLNRGRB2
SCHEMBL29569081 0.86 F2 (0.47) F2ACENTMT1APLNRGRB2
SCHEMBL28890650 0.86 APLNR (0.40) F2NTMT1APLNRGRB2OPRM1
SCHEMBL4726314 0.86 APLNR (0.40) F2NTMT1APLNRGRB2OPRM1
SCHEMBL4726312 0.86 APLNR (0.40) F2NTMT1APLNRGRB2OPRM1
SCHEMBL31544467 0.86 APLNR (0.40) F2NTMT1APLNRGRB2OPRM1
SCHEMBL30493590 0.86 NMUR2 (0.39) F2APLNRGRB2OPRK1
SCHEMBL30563305 0.86 GRB2 (0.44) F2ACENTMT1GRB2OPRK1
SCHEMBL30563217 0.85 GRB2 (0.42) F2ACENTMT1GRB2OPRK1

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-20250042943-A1 FAP DETECTION THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2025-02-06 — — US disclosed
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