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SCHEMBL31254503

SCHEMBL31254503

CC(C)C[C@H](NC(=O)CNC(=O)CN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)O)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 14/20 0.50
▸ CALCR P30988 14/20 0.50
▸ NMUR2 Q9GZQ4 5/20 0.50
▸ NMUR1 Q9HB89 5/20 0.50
▸ EPHA2 P29317 1/20 0.47

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
SCHEMBL31254499 0.87 RAMP3 (0.60) RAMP3CALCRNMUR2NMUR1
SCHEMBL9056903 0.87 OPRM1 (0.50) RAMP3CALCRNMUR2NMUR1EPHA2
SCHEMBL9056898 0.87 OPRM1 (0.50) RAMP3CALCRNMUR2NMUR1EPHA2
SCHEMBL31433260 0.85 RAMP3 (0.55) RAMP3CALCRNMUR2NMUR1
SCHEMBL31433268 0.85 RAMP3 (0.55) RAMP3CALCRNMUR2NMUR1
SCHEMBL30676237 0.85 EPHA2 (0.47) EPHA2
SCHEMBL29440833 0.84 OPRM1 (0.54) RAMP3CALCR
SCHEMBL2624945 0.83 CXCR4 (0.50) RAMP3CALCRNMUR2NMUR1EPHA2
SCHEMBL29440832 0.83 OPRM1 (0.53) RAMP3CALCRNMUR2NMUR1
SCHEMBL30395364 0.83 CAPN1 (0.48) RAMP3CALCRNMUR2NMUR1

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
WO-2024233936-A1 THROMBIN SENSITIVE PLATELET LIKE PARTICLES NORTH CAROLINA STATE UNIVERSITY (US) 2024-11-14 — — WO claimed
WO-2024233936-A1 THROMBIN SENSITIVE PLATELET LIKE PARTICLES NORTH CAROLINA STATE UNIVERSITY (US) 2024-11-14 — — WO disclosed
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