SCHEMBL23790017

SCHEMBL23790017

NC(=O)CCCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC(=O)CNCO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.51
▸ CHRNB4 P30926 1/20 0.51
▸ CHRNA3 P32297 1/20 0.51
▸ CHRNA4 P43681 1/20 0.51
▸ GRIA1 P42261 2/20 0.48
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ CHRND Q07001 2/20 0.47
▸ QRFPR Q96P65 2/20 0.46
▸ OPRD1 P41143 7/20 0.46
▸ OPRM1 P35372 6/20 0.46
▸ OPRK1 P41145 3/20 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
SCHEMBL18495169 0.90 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL18515734 0.90 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL16867578 0.90 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL18515674 0.90 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL21320636 0.89 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL17178196 0.88 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL18515673 0.87 ITGB3 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL21320637 0.87 ITGB3 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL18515825 0.87 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4GRIA1
SCHEMBL18515763 0.86 CHRNB2 (0.46) 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
EP-3466976-B1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2021-09-08 — — EP disclosed
Send feedback