SCHEMBL6222500

SCHEMBL6222500

O=C(CCCCl)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
PIK3CA P42336 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CNR2 P34972 2/20 0.43
MAPK8 P45983 2/20 0.42
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
SRD5A2 P31213 1/20 0.41
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41

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
SCHEMBL28090234 0.83 HDAC1 (0.49) HDAC1HDAC8PIK3CAHDAC3HDAC2
SCHEMBL4305804 0.82 PIK3CA (0.56) HDAC1HDAC8PIK3CACNR2MAPK8
SCHEMBL6226325 0.81 MEN1 (0.51) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL5667857 0.80 HDAC1 (0.46) HDAC1HDAC8PIK3CAHDAC3HDAC2
SCHEMBL30628135 0.79 PIK3CA (0.47) HDAC1HDAC8PIK3CACNR2PSEN1
SCHEMBL6222420 0.79 VNN1 (0.47) HDAC1HDAC8PIK3CAHDAC3HDAC2
SCHEMBL6223798 0.77 TDP1 (0.38) RXRARXRBHRH3
SCHEMBL3893395 0.77 L3MBTL1 (0.51) HDAC1HDAC8HDAC3HDAC2HDAC10
SCHEMBL5509133 0.76 HDAC1 (0.62) HDAC1HDAC8SRD5A2CES2CES1
SCHEMBL7359518 0.76 VNN1 (0.45) HDAC1HDAC8HDAC3HDAC2LMNA

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