SCHEMBL4949042

SCHEMBL4949042

CCCCCN1C=CC(Cl)=CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
PTGS1 P23219 3/20 0.35
PTGS2 P35354 3/20 0.35
MGLL Q99685 3/20 0.35
FAAH O00519 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 2/20 0.33
KAT2B Q92831 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
ALDH1A1 P00352 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
NPC1 O15118 1/20 0.30
PABPC1 P11940 1/20 0.30
APOBEC3A P31941 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30

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
SCHEMBL11291370 0.80 PTGS1 (0.40) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27860597 0.80 MGLL (0.36) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27663496 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL9636765 0.79 GRM2 (0.36) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL26606118 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27683092 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL26606120 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27663503 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27979483 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH
SCHEMBL27660723 0.79 MGLL (0.39) GRM2PTGS1PTGS2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1319642-B1 Method of Preparing a Halogenated Compound OTSUKA KAGAKU KK (JP) 2008-03-26 EP disclosed
EP-0976700-B1 PROCESS FOR HALOGENATING HYDROXYL GROUP OTSUKA KAGAKU KK (JP) 2004-07-28 EP disclosed
EP-1319642-A2 Method of Preparing a Halogenated Compound OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2003-06-18 EP disclosed
US-6403789-B1 REACTING IN ORGANIC SOLVENT DIALKYLHALOIMINIUM COMPOUND AS HALOGENATING AGENT AND LOWER ALKYL SULFONE, LOWER ALKENYL SULFONE, ARYL SULFONE OR HETEROCYCLIC SULFONE WITH HYDROXYL GROUP CONTAINING COMPOUND TO OBTAIN HALOGENIDE OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2002-06-11 US disclosed
US-6194567-B1 PURITY OF HALOGENATED PRODUCT OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2001-02-27 US disclosed
EP-0976700-A1 HALOGENATING AGENT AND PROCESS FOR HALOGENATING HYDROXYL GROUP OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 2000-02-02 EP disclosed