SCHEMBL247915

SCHEMBL247915

O=C(Cl)C1CC1c1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.48
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
KDM1A O60341 8/20 0.45
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
SCN3A Q9NY46 1/20 0.41
MAOB P27338 1/20 0.41
GPR88 Q9GZN0 1/20 0.41
KCNH2 Q12809 1/20 0.39

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
SCHEMBL814567 1.00 SLC9A1 (0.48) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL7655989 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL248385 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL18272394 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL248384 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL18272446 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL15196464 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL12915852 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL29488083 0.86 FFAR1 (0.50) SLC9A1HTR2AHTR2CHTR2BKDM1A
SCHEMBL22654465 0.85 KDM1A (0.58) SLC9A1KDM1AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013124280-A1 SYNTHESIS OF 2-(3,4-DIFLUOROPHENYL)CYCLOPROPANECARBOXYLIC ACID LEK PHARMACEUTICALS D.D. (SI) 2013-08-29 WO disclosed
EP-2588441-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR Actavis Group Ptc Ehf (IS) 2013-05-08 EP disclosed
EP-2560939-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES Actavis Group Ptc Ehf (IS) 2013-02-27 EP disclosed
WO-2012001531-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2012-01-05 WO disclosed
WO-2011132083-A2 NOVEL PROCESS FOR PREPARING PHENYLCYCLOPROPYLAMINE DERIVATIVES USING NOVEL INTERMEDIATES ACTAVIS GROUP PTC EHF (IS) 2011-10-27 WO disclosed