SCHEMBL6226325

SCHEMBL6226325

O=C(CCCCl)Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 1/20 0.51
SMYD3 Q9H7B4 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
EPHX1 P07099 1/20 0.48
ACP3 P15309 1/20 0.48
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MAPK8 P45983 1/20 0.46
LMNA P02545 1/20 0.46
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NR4A2 P43354 2/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAOB P27338 2/20 0.45
PLA2G1B P04054 1/20 0.45

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
SCHEMBL2407518 0.84 MEN1 (0.56) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL6865758 0.84 MEN1 (0.62) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL31294341 0.83 EPHX1 (0.53) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL11175152 0.82 MEN1 (0.54) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL6222500 0.81 HDAC1 (0.49) HDAC1HDAC8MAPK8LMNAFFAR1
SCHEMBL6223832 0.80 VNN1 (0.50) MAPK8NR4A2MAOBSIGMAR1
SCHEMBL21376202 0.80 MEN1 (0.49) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL30235602 0.80 MEN1 (0.66) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL10900761 0.80 MEN1 (0.66) MEN1KMT2AMAPTSMYD3HDAC1
SCHEMBL11266275 0.79 MEN1 (0.51) MEN1KMT2AMAPTSMYD3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1411942-A4 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMA CORP (US) 2005-01-26 EP disclosed
EP-1411942-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS Synaptic Pharmaceutical Corporation (US) 2004-04-28 EP disclosed
WO-2003004027-A1 SUBSTITUTED ANILINIC PIPERIDINES AS MCH SELECTIVE ANTAGONISTS SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2003-01-16 WO disclosed