SCHEMBL18515674

SCHEMBL18515674

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ QRFPR Q96P65 6/20 0.53
▸ 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 4/20 0.50
▸ CHRNG P07510 4/20 0.50
▸ CHRNB1 P11230 4/20 0.50
▸ CHRND Q07001 4/20 0.50
▸ GRIA1 P42261 2/20 0.48
▸ OPRD1 P41143 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
SCHEMBL16867578 1.00 QRFPR (0.53) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18515825 0.97 CHRNB2 (0.53) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17178196 0.95 CHRNB2 (0.53) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18515559 0.95 CHRNB2 (0.56) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18515734 0.93 CHRNB2 (0.54) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18495169 0.93 CHRNB2 (0.54) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23790017 0.90 CHRNB2 (0.51) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21320636 0.90 CHRNB2 (0.51) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20880553 0.90 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA1
SCHEMBL18515809 0.88 OPRD1 (0.51) QRFPRCHRNB2CHRNB4CHRNA3CHRNA4

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 3 patents. 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
EP-3101032-B1 ANTI-HER2 ANTIBODY-DRUG CONJUGATE DAIICHI SANKYO CO LTD (JP) 2019-01-16 — — EP disclosed
EP-3130608-A1 (ANTI-HER2 ANTIBODY)-DRUG CONJUGATE Daiichi Sankyo Co., Ltd. (JP) 2017-02-15 — — EP disclosed
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