SCHEMBL18515814

SCHEMBL18515814

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.48
▸ OPRM1 P35372 5/20 0.48
▸ OPRK1 P41145 2/20 0.48
▸ PPID Q08752 1/20 0.48
▸ NOD2 Q9HC29 1/20 0.47
▸ CTSL P07711 1/20 0.47
▸ CTSB P07858 1/20 0.47
▸ CTSS P25774 1/20 0.47
▸ REN P00797 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNB4 P30926 1/20 0.47
▸ CHRNA3 P32297 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ QRFPR Q96P65 3/20 0.47

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
SCHEMBL18429328 1.00 OPRD1 (0.48) OPRD1OPRM1OPRK1PPIDNOD2
SCHEMBL18495334 0.90 CHRNB2 (0.49) PPIDCTSSCHRNB2CHRNB4CHRNA3
SCHEMBL18515815 0.89 OPRM1 (0.52) OPRD1OPRM1OPRK1PPIDNOD2
SCHEMBL24191455 0.87 CTSS (0.55) OPRD1OPRM1OPRK1CTSLCTSB
SCHEMBL3860587 0.86 REN (0.52) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL3860594 0.86 REN (0.52) OPRD1OPRM1OPRK1CTSBCTSS
SCHEMBL31726300 0.86 OPRD1 (0.44) OPRD1OPRM1OPRK1CTSLCTSB
SCHEMBL11781435 0.86 CTSL (0.57) OPRK1CTSLCTSBCTSS
SCHEMBL30100569 0.85 CTSL (0.51) OPRD1OPRM1OPRK1CTSLCTSB
SCHEMBL18429598 0.85 CTSS (0.56) CTSLCTSBCTSSREN

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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