SCHEMBL21320637

SCHEMBL21320637

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

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.48
▸ ITGA2B P08514 1/20 0.48
▸ CHRNA1 P02708 1/20 0.48
▸ CHRNG P07510 1/20 0.48
▸ CHRNB1 P11230 1/20 0.48
▸ CHRND Q07001 1/20 0.48
▸ CD40 P25942 1/20 0.48
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ OPRM1 P35372 1/20 0.46
▸ OPRD1 P41143 1/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ GRIA1 P42261 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ PTPN1 P18031 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
SCHEMBL18515673 1.00 ITGB3 (0.48) ITGB3ITGA2BCHRNA1CHRNGCHRNB1
SCHEMBL18515734 0.90 CHRNB2 (0.54) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL18495169 0.90 CHRNB2 (0.54) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL18515674 0.88 QRFPR (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL16867578 0.88 QRFPR (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL23790017 0.87 CHRNB2 (0.51) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL21320636 0.87 CHRNB2 (0.51) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL18515825 0.87 CHRNB2 (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL16983229 0.87 AKT1 (0.47) CHRNA1CHRNGCHRNB1CHRNDCD40
SCHEMBL18515763 0.87 CHRNB2 (0.46) CHRNA1CHRNGCHRNB1CHRNDCHRNB2

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-3130608-B1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-09-04 — — EP disclosed
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