SCHEMBL4063236

SCHEMBL4063236

Cc1cnn(-c2cc(Cl)ccc2Cl)c(=O)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
OPRM1 P35372 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
PFKFB3 Q16875 1/20 0.40
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
XBP1 P17861 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
THRB P10828 1/20 0.38
MAPK14 Q16539 1/20 0.38
PDE9A O76083 1/20 0.38
NPBWR1 P48145 2/20 0.38
MCHR1 Q99705 1/20 0.38

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
SCHEMBL5844651 0.89 LMNA (0.48) OPRM1L3MBTL1PFKFB3NPSR1NPBWR1
SCHEMBL1750412 0.85 MAPT (0.50) HTTOPRM1L3MBTL1KDM4EPFKFB3
SCHEMBL1751055 0.83 ESR1 (0.42) HTTOPRM1L3MBTL1KDM4EPFKFB3
SCHEMBL1749799 0.82 RAB9A (0.54) HTTL3MBTL1RAB9AMAPTNPSR1
SCHEMBL5844822 0.79 RAB9A (0.35) HTTL3MBTL1PFKFB3RAB9AMAPT
SCHEMBL4060284 0.77 RAB9A (0.47) HTTL3MBTL1PFKFB3RAB9AMAPT
SCHEMBL11724179 0.77 HTT (0.54) HTTOPRM1L3MBTL1KDM4ERAB9A
SCHEMBL5843172 0.75 PKM (0.41) HTTL3MBTL1RAB9AMAPTNPSR1
SCHEMBL4064696 0.75 HTT (0.46) HTTOPRM1L3MBTL1KDM4ERAB9A
SCHEMBL11733824 0.74 RAB9A (0.54) HTTRAB9AMAPTNPSR1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123264-A1 Heterocyclic derivatives as abnormal cannabidiols agents for lowering intraocular pressure Allergan, Inc. (US) 2009-11-25 EP claimed