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SCHEMBL29978342

SCHEMBL29978342

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KISS1R Q969F8 15/20 0.63
▸ NPBWR1 P48145 3/20 0.56
▸ ERAP2 Q6P179 1/20 0.53
▸ PRMT1 Q99873 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
SCHEMBL29520417 0.99 KISS1R (0.65) KISS1RNPBWR1ERAP2PRMT1
SCHEMBL29464012 0.95 KISS1R (0.69) KISS1R
SCHEMBL31743243 0.92 KISS1R (0.58) KISS1RNPBWR1ERAP2
SCHEMBL30517760 0.92 ERAP2 (0.59) KISS1RNPBWR1ERAP2
SCHEMBL30874654 0.91 KISS1R (0.57) KISS1RERAP2PRMT1
SCHEMBL29555876 0.91 GLP1R (0.60) KISS1RERAP2
SCHEMBL30486091 0.90 NPBWR1 (0.56) KISS1RNPBWR1PRMT1
SCHEMBL30486097 0.90 NPBWR1 (0.56) KISS1RNPBWR1PRMT1
SCHEMBL30486093 0.90 NPBWR1 (0.56) KISS1RNPBWR1PRMT1
SCHEMBL31279656 0.90 ACE (0.52) KISS1RNPBWR1ERAP2

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
CN-115282277-A Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-11-04 — — CN claimed
CN-115282277-A Modulating blood cerebrospinal fluid barrier permeability 纪念斯隆-凯特琳癌症中心 2022-11-04 — — CN disclosed