SCHEMBL22969940

SCHEMBL22969940

CC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN2C(=O)CC(C)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.42
▸ CALCRL Q16602 1/20 0.40
▸ KDM1A O60341 7/20 0.39
▸ MAOA P21397 5/20 0.39
▸ RCOR1 Q9UKL0 3/20 0.39
▸ KDM1B Q8NB78 1/20 0.39
▸ ITGB1 P05556 3/20 0.39
▸ ITGA4 P13612 3/20 0.39
▸ SIRT1 Q96EB6 2/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ MAOB P27338 2/20 0.39
▸ NPY1R P25929 1/20 0.39
▸ NPY2R P49146 1/20 0.39
▸ NPY4R P50391 1/20 0.39
▸ NPY5R Q15761 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
SCHEMBL22969857 0.97 NPY4R (0.41) OPRL1CALCRLKDM1AMAOARCOR1
SCHEMBL22969845 0.92 TACR1 (0.39) OPRL1CALCRLKDM1AMAOARCOR1
SCHEMBL13477993 0.89 CALCRL (0.49) OPRL1CALCRLKDM1AMAOARCOR1
SCHEMBL22970116 0.89 MAP1LC3B (0.40) OPRL1SIRT1SIRT2SIRT5
SCHEMBL22969859 0.89 KDM1A (0.43) KDM1AMAOARCOR1KDM1BSIRT1
SCHEMBL22969937 0.88 OPRL1 (0.34) OPRL1SIRT1SIRT2SIRT5
SCHEMBL18811640 0.87 NPY5R (0.39) OPRL1SIRT1SIRT2NPY1RNPY2R
SCHEMBL22624856 0.87 FAP (0.40) OPRL1SIRT1SIRT2SIRT5
SCHEMBL24831925 0.86 SIRT2 (0.37) OPRL1ITGB1SIRT1SIRT2SIRT5
SCHEMBL23690548 0.86 OPRL1 (0.40) OPRL1CALCRLKDM1AMAOARCOR1

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
WO-2021022678-A1 ANTIBODY-DRUG CONJUGATE AND APPLICATION THEREOF 烟台迈百瑞国际生物医药股份有限公司 2021-02-11 — — WO disclosed
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