SCHEMBL18515736

SCHEMBL18515736

CNC(CCCCN)C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)NCC(N)=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.41
▸ PRSS1 P07477 2/20 0.40
▸ PRSS2 P07478 2/20 0.40
▸ PRSS3 P35030 2/20 0.40
▸ TLR2 O60603 2/20 0.39
▸ CPB2 Q96IY4 1/20 0.39
▸ MMP1 P03956 4/20 0.38
▸ MMP3 P08254 4/20 0.38
▸ MMP9 P14780 4/20 0.38
▸ MMP2 P08253 2/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ NPY1R P25929 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ GRIN1 Q05586 1/20 0.36
▸ GRIN2A Q12879 1/20 0.36
▸ C3AR1 Q16581 1/20 0.36

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
SCHEMBL21320398 0.86 CHRNA1 (0.49) F2
SCHEMBL17177645 0.76 F10 (0.43) F2PRSS1TACR1TACR3
SCHEMBL23052583 0.74 MMP1 (0.47) PRSS1PRSS2PRSS3TLR2CPB2
SCHEMBL21081686 0.74 MMP1 (0.47) PRSS1PRSS2PRSS3TLR2CPB2
SCHEMBL1362526 0.73 CTSS (0.41) F2PRSS1
SCHEMBL6156498 0.73 CTSS (0.41) F2PRSS1TACR1TACR3
SCHEMBL29313314 0.72 QRFPR (0.49) —
SCHEMBL29313281 0.72 QRFPR (0.49) —
SCHEMBL22297882 0.72 SIRT6 (0.46) TLR2MMP1MMP3MMP9
SCHEMBL22297879 0.72 SIRT6 (0.43) F2TLR2

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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