SCHEMBL1729663

SCHEMBL1729663

C=CCC(CCCCCCCCCCCCC)C(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC8 Q9BY41 4/20 0.43
HDAC3 O15379 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
MMP2 P08253 9/20 0.43
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL3420503 0.83 CNR2 (0.55) CNR2MEN1KMT2AMMP2MMP1
SCHEMBL10607094 0.81 CNR2 (0.52) CNR2MEN1KMT2AMMP2MMP1
SCHEMBL8665977 0.81 CNR2 (0.52) CNR2MEN1KMT2AMMP2MMP1
Benzylamine SCHEMBL9879869 0.81 CSNK1E (0.42) CNR2HDAC8HDAC3HDAC6HDAC1
SCHEMBL10605377 0.81 HDAC8 (0.49) MEN1KMT2AHDAC8HDAC3HDAC6
SCHEMBL23728326 0.80 FAAH (0.55) CNR2MEN1KMT2AHDAC8HDAC3
SCHEMBL23728411 0.80 FAAH (0.55) CNR2MEN1KMT2AHDAC8HDAC3
SCHEMBL10604618 0.78 CA2 (0.46)
SCHEMBL5599307 0.77 MMP2 (0.59) MEN1KMT2AHDAC8HDAC3HDAC6
SCHEMBL5599303 0.77 MMP2 (0.59) MEN1KMT2AHDAC8HDAC3HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1530562-B1 OPTICALLY ACTIVE 1-(FLUORO-,TRIFLUOROMETHYL-OR TRIFLUOROMETHOXY-SUBSTITUTED PHENYL)ALKYLAMINE N-MONOALKYL DERIVATIVES AND PROCESS FOR PRODUCING SAME CENTRAL GLASS CO LTD (JP) 2011-11-30 EP claimed
EP-1100503-B1 NON-IMIDAZOLE ALKYLAMINES AS HISTAMINE H 3?-RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ILE BIOPROJET SOC CIV (FR) 2004-09-22 EP claimed
EP-1468994-B1 Process for preparing cyclic amine substituted phenyl-alkyl-ketones BASF SE (DE) 2010-11-24 EP disclosed
EP-0805152-B1 Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation CIBA SC HOLDING AG (CH) 2005-06-08 EP disclosed
EP-1468994-A1 Process for preparing cyclic amine substituted phenyl-alkyl-ketones Ciba SC Holding AG (CH) 2004-10-20 EP disclosed
EP-0805152-A3 Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation Ciba SC Holding AG (CH) 1998-01-28 EP disclosed
EP-0805152-A2 Cyclic amine substituted phenyl-alkyl-ketone and process for its preparation Ciba SC Holding AG (CH) 1997-11-05 EP disclosed