SCHEMBL29914819

SCHEMBL29914819

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](C)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NTSR2 O95665 3/20 0.48
▸ NTSR1 P30989 3/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ GNRHR P30968 3/20 0.46
▸ OPRK1 P41145 7/20 0.46
▸ OPRM1 P35372 6/20 0.45
▸ APLNR P35414 2/20 0.44

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
SCHEMBL29801996 0.90 ACE (0.47) NTSR2NTSR1OPRM1
SCHEMBL30064503 0.90 OPRK1 (0.58) GNRHROPRK1OPRM1
SCHEMBL29802105 0.90 ACE (0.48) NTSR2NTSR1OPRK1OPRM1APLNR
SCHEMBL29611888 0.89 NTSR2 (0.47) NTSR2NTSR1OPRK1OPRM1APLNR
SCHEMBL29611474 0.88 NTSR2 (0.48) NTSR2NTSR1CAPN1OPRM1
SCHEMBL29802028 0.87 GRB2 (0.48) NTSR2NTSR1CAPN1OPRM1
SCHEMBL29601866 0.87 OPRM1 (0.51) NTSR2NTSR1OPRM1
SCHEMBL29409430 0.86 OPRK1 (0.55) NTSR2NTSR1OPRK1
SCHEMBL29611815 0.86 NTSR1 (0.51) NTSR2NTSR1
SCHEMBL29802012 0.85 ACE (0.48) NTSR2NTSR1OPRM1APLNR

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-4051693-A1 LHRH-PRODIGIOSIN CONJUGATES AND METHODS OF USE Worcester Polytechnic Institute (US) 2022-09-07 — — EP disclosed
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