SCHEMBL18515799

SCHEMBL18515799

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

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 4/20 0.50
▸ CHRNG P07510 4/20 0.50
▸ CHRNB1 P11230 4/20 0.50
▸ CHRND Q07001 4/20 0.50
▸ CHRNB2 P17787 1/20 0.49
▸ CHRNB4 P30926 1/20 0.49
▸ CHRNA3 P32297 1/20 0.49
▸ CHRNA4 P43681 1/20 0.49
▸ QRFPR Q96P65 1/20 0.49
▸ GRIA1 P42261 2/20 0.48
▸ CTSL P07711 1/20 0.47
▸ OPRD1 P41143 5/20 0.46
▸ OPRM1 P35372 4/20 0.46
▸ OPRK1 P41145 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
SCHEMBL16485401 0.86 CHRNB2 (0.62) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL17178196 0.86 CHRNB2 (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL16485174 0.84 CHRNB2 (0.52) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL20880553 0.83 CHRNB2 (0.49) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL16867578 0.82 QRFPR (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL18515674 0.82 QRFPR (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL30805357 0.82 CTSL (0.51) CHRNA1CHRNGCHRNB1CHRNDCTSL
SCHEMBL29385523 0.82 CTSL (0.51) CHRNA1CHRNGCHRNB1CHRNDCTSL
SCHEMBL18515825 0.81 CHRNB2 (0.53) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL30439820 0.81 OPRD1 (0.52) CTSLOPRD1OPRM1OPRK1

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-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE Daiichi Sankyo Co., Ltd. (JP) 2017-02-15 — — EP disclosed
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