SCHEMBL30259604

SCHEMBL30259604

CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.53
▸ CALCRL Q16602 2/20 0.53
▸ RAMP1 O60894 1/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ OPRD1 P41143 2/20 0.52
▸ F2 P00734 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ NTSR2 O95665 4/20 0.51
▸ NTSR1 P30989 4/20 0.51
▸ SORT1 Q99523 3/20 0.51
▸ ACE P12821 1/20 0.51

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
Thymoctonan SCHEMBL1230532 0.97 REN (0.52) RENCALCRLRAMP1OPRK1OPRD1
Thymoctonan SCHEMBL15532000 0.97 REN (0.52) RENCALCRLRAMP1OPRK1OPRD1
SCHEMBL2195454 0.93 OPRD1 (0.55) RENOPRK1OPRD1F2NTSR2
SCHEMBL30011888 0.91 OPRM1 (0.55) RENOPRK1OPRM1
SCHEMBL17456231 0.90 REN (0.51) RENCALCRLRAMP1OPRK1OPRD1
SCHEMBL31323239 0.90 CALCRL (0.56) CALCRLRAMP1OPRD1F2OPRM1
SCHEMBL31694408 0.89 F2 (0.58) CALCRLRAMP1OPRK1OPRD1F2
SCHEMBL30603858 0.87 CALCRL (0.53) CALCRLRAMP1OPRD1F2NTSR2
SCHEMBL29666135 0.87 OPRK1 (0.58) RENOPRK1OPRD1OPRM1
SCHEMBL29586781 0.87 OPRM1 (0.57) OPRK1OPRD1OPRM1

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
EP-4129318-A1 PROTEIN-BASED PHARMACEUTICAL COMPOSITION WITH NEUROPROTECTIVE, IMMUNOMODULATING, ANTI-INFLAMMATORY AND ANTIMICROBIAL ACTIVITY Centro Nacional de Biopreparados (CU) 2023-02-08 — — EP disclosed
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