SCHEMBL13477993

SCHEMBL13477993

CC(=O)OCc1ccc(NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCN2C(=O)CC(C)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 2/20 0.49
▸ SSTR3 P32745 1/20 0.44
▸ OPRK1 P41145 2/20 0.42
▸ OPRL1 P41146 4/20 0.41
▸ HRH1 P35367 1/20 0.40
▸ KDM1A O60341 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ KDM1B Q8NB78 1/20 0.40
▸ RCOR1 Q9UKL0 1/20 0.40
▸ ITGB1 P05556 3/20 0.40
▸ ITGA4 P13612 3/20 0.40
▸ HDAC1 Q13547 1/20 0.40

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 0.92 NPY4R (0.41) CALCRLOPRL1KDM1AMAOAKDM1B
SCHEMBL12972169 0.91 CALCRL (0.52) CALCRLSSTR3OPRK1OPRL1HRH1
SCHEMBL13043894 0.90 CALCRL (0.52) CALCRLSSTR3OPRK1OPRL1HRH1
SCHEMBL13043888 0.90 CALCRL (0.44) CALCRLSSTR3OPRK1OPRL1HRH1
SCHEMBL19456893 0.90 CALCRL (0.43) CALCRLSSTR3OPRK1OPRL1KDM1A
SCHEMBL22969940 0.89 OPRL1 (0.42) CALCRLOPRL1KDM1AMAOAKDM1B
SCHEMBL22910386 0.88 CALCRL (0.51) CALCRLSSTR3HRH1KDM1AMAOA
SCHEMBL13477997 0.87 CALCRL (0.49) CALCRLOPRL1HRH1
SCHEMBL26825462 0.86 HDAC1 (0.49) CALCRLHDAC1
SCHEMBL22549355 0.85 CALCRL (0.43) CALCRLSSTR3OPRK1HRH1KDM1A

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
US-7659241-B2 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2010-02-09 — — US disclosed
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