SCHEMBL16485174

SCHEMBL16485174

NCC(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCCCC=O

nearest known ligand 0.52

Predicted protein targets (top 16)

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
▸ CHRNA1 P02708 5/20 0.50
▸ CHRNG P07510 5/20 0.50
▸ CHRNB1 P11230 5/20 0.50
▸ CHRND Q07001 5/20 0.50
▸ GRIA1 P42261 3/20 0.50
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ QRFPR Q96P65 1/20 0.45
▸ OPRD1 P41143 2/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ OPRK1 P41145 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
SCHEMBL16485165 0.87 CHRNA1 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL16485401 0.86 CHRNB2 (0.62) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL17178196 0.86 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL20880582 0.86 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL18515799 0.84 CHRNA1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL20880553 0.83 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL23499227 0.82 CTSS (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CTSL
SCHEMBL23499228 0.82 CTSS (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CTSL
SCHEMBL18515674 0.82 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL16867578 0.82 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1

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-2014057687-A1 ANTIBODY-DRUG CONJUGATE 第一三共株式会社 (JP) 2014-04-17 — — WO disclosed
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