SCHEMBL17029474

SCHEMBL17029474

CCNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CCCCCN

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNB4 P30926 1/20 0.54
CHRNA3 P32297 1/20 0.54
CHRNA4 P43681 1/20 0.54
CALCRL Q16602 1/20 0.53
CHRND Q07001 7/20 0.51
CHRNA1 P02708 3/20 0.51
CHRNG P07510 3/20 0.51
CHRNB1 P11230 3/20 0.51
MMP2 P08253 1/20 0.50
GRIA1 P42261 1/20 0.49
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
TLR2 O60603 1/20 0.49
FAAH O00519 1/20 0.49

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
SCHEMBL17128773 0.93 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL16485202 0.93 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL25874361 0.86 MMP2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL17177757 0.85 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL27377994 0.85 PSMB5 (0.51) FAAH
SCHEMBL25497019 0.83 FAAH (0.60) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL16485208 0.83 MMP2 (0.60) CHRNDCHRNA1CHRNGCHRNB1MMP2
SCHEMBL38659045 0.83 CHRND (0.59) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL29569077 0.83 GNPAT (0.62) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL21320668 0.82 CALCRL (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CALCRL

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
EP-2910573-A1 ANTIBODY-DRUG CONJUGATE PRODUCED BY BINDING THROUGH LINKER HAVING HYDROPHILIC STRUCTURE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-08-26 EP disclosed