SCHEMBL20880553

SCHEMBL20880553

NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCCC(N)=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ CHRNA1 P02708 2/20 0.47
▸ CHRNG P07510 2/20 0.47
▸ CHRNB1 P11230 2/20 0.47
▸ CHRND Q07001 2/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ GRIA1 P42261 2/20 0.46
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ OPRK1 P41145 1/20 0.46
▸ CTSC P53634 2/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ KLK1 P06870 1/20 0.45
▸ KMT2A Q03164 1/20 0.44

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
SCHEMBL17178196 0.94 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL18515674 0.90 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL16867578 0.90 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL18515825 0.89 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL26605054 0.87 CTSS (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL5177591 0.87 CTSS (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL18515734 0.85 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL18495169 0.85 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL29385523 0.85 CTSL (0.51) CHRNA1CHRNGCHRNB1CHRNDCTSL
SCHEMBL30805357 0.85 CTSL (0.51) CHRNA1CHRNGCHRNB1CHRNDCTSL

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-A1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE Daiichi Sankyo Company, Limited (JP) 2019-04-10 — — EP disclosed
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