SCHEMBL16485202

SCHEMBL16485202

CCNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.56
CHRNB4 P30926 1/20 0.56
CHRNA3 P32297 1/20 0.56
CHRNA4 P43681 1/20 0.56
MMP2 P08253 1/20 0.55
CHRND Q07001 8/20 0.54
CHRNA1 P02708 4/20 0.54
CHRNG P07510 4/20 0.54
CHRNB1 P11230 4/20 0.54
FAAH O00519 2/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
GRIA1 P42261 1/20 0.51

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 1.00 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL17029474 0.93 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL17177757 0.92 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL25874361 0.90 MMP2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4MMP2
SCHEMBL16485208 0.90 MMP2 (0.60) MMP2CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL25497019 0.88 FAAH (0.60) CHRNB2CHRNB4CHRNA3CHRNA4FAAH
SCHEMBL25976421 0.85 PSMB5 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL27377994 0.85 PSMB5 (0.51) FAAH
SCHEMBL17178170 0.85 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL16485165 0.84 CHRNA1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015155998-A1 ANTI-HER3 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-15 WO disclosed
WO-2014057687-A1 ANTIBODY-DRUG CONJUGATE 第一三共株式会社 (JP) 2014-04-17 WO disclosed