SCHEMBL21882002

SCHEMBL21882002

CC(OCNC(=O)CNC(=O)C(Cc1ccccc1)NC(=O)CNC=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.43
▸ OPRM1 P35372 5/20 0.43
▸ OPRK1 P41145 2/20 0.43
▸ REN P00797 1/20 0.43
▸ CTSB P07858 3/20 0.42
▸ CTSL P07711 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ MMP1 P03956 2/20 0.41
▸ FCER2 P06734 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PSMB11 A5LHX3 1/20 0.41
▸ PSMA7 O14818 1/20 0.41
▸ PSMB1 P20618 1/20 0.41
▸ PSMA1 P25786 1/20 0.41
▸ PSMA2 P25787 1/20 0.41
▸ PSMA3 P25788 1/20 0.41
▸ PSMA4 P25789 1/20 0.41
▸ PSMB8 P28062 1/20 0.41
▸ PSMB9 P28065 1/20 0.41

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
SCHEMBL24342132 0.89 CTSB (0.39) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL26154352 0.83 REN (0.45) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL23680222 0.82 CTSS (0.41) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL24183746 0.81 OPRD1 (0.45) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL24999273 0.80 CTSS (0.43) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL27354682 0.80 CTSB (0.48) OPRD1OPRM1OPRK1CTSBCTSL
SCHEMBL24341294 0.79 OPRD1 (0.42) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL24342131 0.79 REN (0.42) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL23680126 0.79 CTSB (0.39) OPRD1OPRM1OPRK1RENCTSB
SCHEMBL23680114 0.79 REN (0.41) OPRD1OPRM1OPRK1RENCTSB

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
WO-2020063673-A1 ANTI-B7H3 ANTIBODY-EXATECAN ANALOG CONJUGATE AND MEDICINAL USE THEREOF 江苏恒瑞医药股份有限公司 2020-04-02 — — WO disclosed
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