SCHEMBL41221

SCHEMBL41221

O=CC(Br)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
BCHE P06276 1/20 0.51
MAOB P27338 3/20 0.50
NR4A1 P22736 1/20 0.50
NR4A2 P43354 1/20 0.50
NR4A3 Q92570 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
MAOA P21397 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL5738426 0.95 ACACB (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10477886 0.86 KMT2A (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL16432400 0.83 MAOB (0.57) BCHEMAOBNR4A2MAOASMN1; SMN2
SCHEMBL8505924 0.82 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8505922 0.82 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2844054 0.82 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6616547 0.81 LMNA (0.56) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8762019 0.81 LMNA (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5784530 0.81 MAOB (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL6188338 0.81 ALOX5 (0.55) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025244832-A1 NOVEL AMINOGUANIDINE DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF KONG'S PHARMACEUTICAL CO. (US) 2025-11-27 WO disclosed
EP-4387617-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2024-06-26 EP disclosed
WO-2023023156-A1 ACID CERAMIDASE INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-02-23 WO disclosed
EP-3197868-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B Luc Therapeutics, Inc. (US) 2017-08-02 EP disclosed
EP-3027610-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - Portela & Cª S.A. (PT) 2016-06-08 EP disclosed
WO-2016049165-A1 N-ALKYLARYL-5-OXYARYL-OCTAHYDRO-CYCLOPENTA[C]PYRROLE NEGATIVE ALLOSTERIC MODULATORS OF NR2B MNEMOSYNE PHARMACEUTICALS, INC. (US) 2016-03-31 WO disclosed
WO-2015016728-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
WO-2014105926-A1 NOVEL BETULINIC ACID PROLINE DERIVATIVES AS HIV INHIBITORS HETERO RESEARCH FOUNDATION (IN) 2014-07-03 WO disclosed
EP-2590954-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBVIE B.V. (NL) 2013-05-15 EP disclosed
WO-2012004375-A1 BISARYL (THIO)MORPHOLINE DERIVATIVES AS S1P MODULATORS ABBOTT HEALTHCARE PRODUCTS B.V. (NL) 2012-01-12 WO disclosed
WO-2012006038-A2 AGENTS AND COMPOUNDS FOR IMAGING AND OTHER APPLICATIONS, AND METHODS OF USE AND SYNTHESIS THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 WO disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 WO disclosed