SCHEMBL29816038

SCHEMBL29816038

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

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.58
▸ KISS1R Q969F8 16/20 0.57
▸ MMP1 P03956 1/20 0.55
▸ NPBWR1 P48145 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53

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
SCHEMBL31078370 0.92 NPBWR1 (0.57) KISS1RNPBWR1RXFP1
SCHEMBL30676224 0.89 ERAP2 (0.59) ERAP2KISS1RMMP1
SCHEMBL30586709 0.89 ERAP2 (0.63) ERAP2KISS1RMMP1
SCHEMBL3497693 0.88 KISS1R (0.62) KISS1RNPBWR1
SCHEMBL31461886 0.88 NPBWR1 (0.61) KISS1RNPBWR1
SCHEMBL30544320 0.87 ERAP2 (0.61) ERAP2KISS1RMMP1
SCHEMBL31267924 0.87 ERAP2 (0.65) ERAP2KISS1RMMP1
SCHEMBL29699418 0.87 IL23R (0.58) KISS1RNPBWR1
SCHEMBL31461987 0.87 NPBWR1 (0.62) KISS1RNPBWR1
SCHEMBL29485122 0.87 GHSR (0.54) KISS1R

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-113373128-B Epoxide hydrolase mutant with improved catalytic efficiency and preparation method thereof 深圳市微滴科技顾问有限公司 2022-09-16 — — CN disclosed
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