SCHEMBL1447090

SCHEMBL1447090

CCCCOC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 5/20 0.56
▸ OPRK1 P41145 4/20 0.56
▸ KMT2A Q03164 3/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ TET3 O43151 2/20 0.51
▸ FBXL19 Q6PCT2 2/20 0.51
▸ CXXC5 Q7LFL8 2/20 0.51
▸ TET1 Q8NFU7 2/20 0.51
▸ KDM2B Q8NHM5 2/20 0.51
▸ CXXC4 Q9H2H0 2/20 0.51
▸ KDM2A Q9Y2K7 2/20 0.51
▸ OPRM1 P35372 4/20 0.49
▸ SLC22A1 O15245 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ APP P05067 1/20 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
SCHEMBL27472889 0.90 OPRD1 (0.57) OPRD1OPRK1OPRM1SLC22A1SLC6A4
SCHEMBL9037444 0.89 OPRD1 (0.51) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL6248104 0.89 KMT2A (0.54) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL8438413 0.88 SMN1; SMN2 (0.55) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL8915729 0.87 OPRM1 (0.53) OPRD1OPRK1KMT2AMEN1TET3
SCHEMBL5592248 0.84 OPRD1 (0.55) OPRD1OPRK1OPRM1LMNAPOLB
SCHEMBL16244835 0.82 OPRD1 (0.57) OPRD1OPRK1OPRM1LMNAPOLB
SCHEMBL8824371 0.82 OPRD1 (0.54) OPRD1OPRK1OPRM1LMNAPOLB
SCHEMBL8824367 0.81 OPRD1 (0.53) OPRD1OPRK1OPRM1ADRA1ALMNA
SCHEMBL8122193 0.81 OPRD1 (0.53) OPRD1OPRK1OPRM1LMNAPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2297153-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2011-03-23 — — EP disclosed
WO-2009131940-A1 LIMK2 INHIBITORS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2009-10-29 — — WO disclosed
EP-1077942-A1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS Aventis Pharmaceuticals Inc. (US) 2001-02-28 — — EP disclosed
WO-1999059972-A1 CARBOXY SUBSTITUTED CARBOXAMIDE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS AVENTIS PHARMACEUTICALS INC. (US) 1999-11-25 — — WO disclosed
EP-0946545-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 — — EP disclosed
EP-0946548-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 — — EP disclosed
WO-1998027086-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 — — WO disclosed
WO-1998027085-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 — — WO disclosed
Send feedback