SCHEMBL29350923

SCHEMBL29350923

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

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ IL1RN P18510 13/20 0.67
▸ ERAP2 Q6P179 13/20 0.67
▸ ERAP1 Q9NZ08 5/20 0.63
▸ ECE1 P42892 3/20 0.59
▸ ANPEP P15144 1/20 0.59
▸ MMP2 P08253 1/20 0.58
▸ MMP9 P14780 1/20 0.58
▸ MMP8 P22894 1/20 0.58

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
SCHEMBL11664273 1.00 IL1RN (0.67) IL1RNERAP2ERAP1ECE1ANPEP
Hydrochloric Acid SCHEMBL11641913 0.99 IL1RN (0.66) IL1RNERAP2ERAP1ECE1ANPEP
SCHEMBL29845269 0.92 IL1RN (0.67) IL1RNERAP2ERAP1ECE1ANPEP
SCHEMBL7398615 0.92 IL1RN (0.67) IL1RNERAP2ERAP1ECE1ANPEP
SCHEMBL20829913 0.91 KMT2A (0.66) IL1RNERAP2ERAP1
SCHEMBL30800609 0.91 KMT2A (0.66) IL1RNERAP2ERAP1
SCHEMBL22042954 0.89 ECE1 (0.69) IL1RNERAP2ERAP1ECE1ANPEP
SCHEMBL11660007 0.89 IL1RN (0.61) IL1RNERAP2ERAP1
SCHEMBL22042951 0.89 ECE1 (0.69) IL1RNERAP2ERAP1ECE1ANPEP
SCHEMBL8776396 0.89 ECE1 (0.70) IL1RNERAP2ERAP1ECE1ANPEP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023030278-A1 FULL-LIQUID-PHASE SYNTHESIS METHOD FOR REELIN DRUG 湖南三太药业有限公司 2023-03-09 — — WO disclosed
WO-2023030277-A1 METHOD FOR FULLY LIQUID-PHASE SYNTHESIS OF GRNH NONAPEPTIDE AMIDE ANALOG 湖南微肽生物医药有限公司 2023-03-09 — — WO disclosed
CN-113968897-A Method for synthesizing deslorelin in full liquid phase 湖南三太药业有限公司 2022-01-25 — — CN disclosed
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