SCHEMBL21320398

SCHEMBL21320398

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

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNA1 P02708 3/20 0.49
▸ CHRNG P07510 3/20 0.49
▸ CHRNB1 P11230 3/20 0.49
▸ CHRND Q07001 3/20 0.49
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNB4 P30926 1/20 0.48
▸ CHRNA3 P32297 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ QRFPR Q96P65 2/20 0.46
▸ F2 P00734 1/20 0.46
▸ CALCRL Q16602 1/20 0.46
▸ OPRD1 P41143 6/20 0.46
▸ OPRM1 P35372 5/20 0.46
▸ OPRK1 P41145 3/20 0.46
▸ GRIA1 P42261 1/20 0.45

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
SCHEMBL29313314 0.86 QRFPR (0.49) QRFPRCALCRLOPRK1
SCHEMBL29313281 0.86 QRFPR (0.49) QRFPRCALCRLOPRK1
SCHEMBL18515736 0.86 F2 (0.41) F2
SCHEMBL18556709 0.85 OPRD1 (0.51) QRFPRCALCRLOPRD1OPRM1OPRK1
SCHEMBL18515809 0.82 OPRD1 (0.51) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL29569077 0.82 GNPAT (0.62) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL17029474 0.82 CHRNB2 (0.54) CHRNA1CHRNGCHRNB1CHRNDCHRNB2
SCHEMBL29540107 0.82 ERAP2 (0.55) CHRNA1CHRNGCHRNB1CHRNDOPRD1
SCHEMBL18515624 0.81 OPRD1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4OPRD1
SCHEMBL15840456 0.81 CTSL (0.54) CHRNB2CHRNB4CHRNA3CHRNA4OPRD1

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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