SCHEMBL27461127

SCHEMBL27461127

CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 6/20 0.53
▸ OPRM1 P35372 5/20 0.53
▸ OPRK1 P41145 2/20 0.53
▸ CTSS P25774 3/20 0.52
▸ CTSL P07711 2/20 0.52
▸ CTSB P07858 1/20 0.52
▸ QRFPR Q96P65 3/20 0.50
▸ MMP2 P08253 1/20 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
▸ CTSK P43235 2/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ FCER2 P06734 1/20 0.47
▸ CHRNA1 P02708 1/20 0.47
▸ CHRNG P07510 1/20 0.47
▸ CHRNB1 P11230 1/20 0.47
▸ CHRND Q07001 1/20 0.47
▸ REN P00797 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
SCHEMBL7042469 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL6828134 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL7211697 0.90 OPRD1 (0.52) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL20880680 0.89 CTSS (0.53) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL25452475 0.89 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL30939437 0.89 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSSCTSL
Hydrochloric Acid SCHEMBL30333426 0.89 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL21437346 0.89 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL18515809 0.89 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSSCTSL
SCHEMBL29590936 0.89 OPRD1 (0.51) OPRD1OPRM1OPRK1CTSSCTSL

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
CN-1143859-C Camptothecin derivative and its preparation ������ҩ��ʽ���� 2004-03-31 — — CN disclosed
CN-1075501-C Camptothecin derivatives, preparation method, intermediate and application TANABE SEIYAKU CO (JP) 2001-11-28 — — CN disclosed
CN-1308078-A Camptothecin derivative and its preparation TANADE SEIYAKU CO LTD (JP) 2001-08-15 — — CN disclosed
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