SCHEMBL16485401

SCHEMBL16485401

CCCCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CN

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.62
▸ CHRNB4 P30926 1/20 0.62
▸ CHRNA3 P32297 1/20 0.62
▸ CHRNA4 P43681 1/20 0.62
▸ CHRND Q07001 7/20 0.53
▸ CHRNA1 P02708 3/20 0.53
▸ CHRNG P07510 3/20 0.53
▸ CHRNB1 P11230 3/20 0.53
▸ GRIA1 P42261 6/20 0.51

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 0.88 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL10545669 0.88 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL17225970 0.88 PSMB5 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL18515799 0.86 CHRNA1 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL16485174 0.86 CHRNB2 (0.52) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL20880553 0.85 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL16867578 0.84 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL18515674 0.84 QRFPR (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRND
SCHEMBL29385523 0.84 CTSL (0.51) CHRNDCHRNA1CHRNGCHRNB1
SCHEMBL30805357 0.84 CTSL (0.51) CHRNDCHRNA1CHRNGCHRNB1

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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