SCHEMBL17178170

SCHEMBL17178170

CCNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCNC(=O)C(C)CC

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.52
CHRNB4 P30926 1/20 0.52
CHRNA3 P32297 1/20 0.52
CHRNA4 P43681 1/20 0.52
CAPN1 P07384 1/20 0.48
CAPN2 P17655 1/20 0.48
CHRND Q07001 3/20 0.48
CHRNA1 P02708 2/20 0.48
CHRNG P07510 2/20 0.48
CHRNB1 P11230 2/20 0.48
GRIA1 P42261 3/20 0.47
FAAH O00519 2/20 0.47
PSMB5 P28074 1/20 0.46

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
SCHEMBL25976421 0.87 PSMB5 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CAPN1
SCHEMBL25877365 0.85 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL25878219 0.85 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL16485202 0.85 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL17128773 0.85 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL25497019 0.83 FAAH (0.60) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL27377994 0.83 PSMB5 (0.51) CAPN1CAPN2FAAHPSMB5
SCHEMBL25976228 0.83 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL17177757 0.81 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL27433914 0.80 PSMB5 (0.56) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1

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-2015155998-A1 ANTI-HER3 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-10-15 WO disclosed