SCHEMBL29824941

SCHEMBL29824941

NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)NCC(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NTMT1 Q9BV86 2/20 0.45
▸ OPRM1 P35372 4/20 0.43
▸ OPRD1 P41143 4/20 0.43
▸ F2 P00734 3/20 0.42
▸ ACE P12821 3/20 0.41
▸ APLNR P35414 3/20 0.41
▸ TBXA2R P21731 1/20 0.40
▸ AVPR1A P37288 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ NTSR2 O95665 1/20 0.40
▸ NTSR1 P30989 1/20 0.40
▸ FAP Q12884 1/20 0.39

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
SCHEMBL30239410 0.87 NTMT1 (0.47) NTMT1OPRM1F2ACE
SCHEMBL29816717 0.86 NTMT1 (0.50) NTMT1OPRM1F2ACEAPLNR
SCHEMBL29493717 0.85 NTSR2 (0.42) NTMT1OPRM1OPRD1F2ACE
SCHEMBL29936781 0.85 KMT2A (0.37) F2ACEFAP
SCHEMBL13224521 0.85 APLNR (0.48) OPRM1OPRD1F2APLNRNTSR2
SCHEMBL30767145 0.85 NMUR2 (0.46) OPRM1OPRD1F2APLNRNTSR2
SCHEMBL29411115 0.85 ACE (0.49) NTMT1F2ACEAPLNR
SCHEMBL29421993 0.84 F2 (0.52) NTMT1OPRM1F2ACE
SCHEMBL30862236 0.83 DPP4 (0.41) F2ACEFAP
SCHEMBL29689651 0.83 APLNR (0.44) NTMT1F2ACEAPLNR

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
CN-114805525-A Preparation method of conopeptide 深圳市健元医药科技有限公司 2022-07-29 — — CN disclosed
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