SCHEMBL7814657

SCHEMBL7814657

C/C=C/C=C/c1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPFFR2 Q9Y5X5 3/20 0.47
NPFFR1 Q9GZQ6 2/20 0.47
KDR P35968 2/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
IDO1 P14902 2/20 0.38
APP P05067 2/20 0.38
HTR3E A5X5Y0 1/20 0.38
HTR3B O95264 1/20 0.38
HTR3A P46098 1/20 0.38
HTR3D Q70Z44 1/20 0.38
HTR3C Q8WXA8 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
NOTUM Q6P988 6/20 0.36
PYCR1 P32322 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7814664 1.00 NPFFR2 (0.47) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL18420271 0.81 NPFFR1 (0.48) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL18420270 0.81 NPFFR1 (0.48) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL7807626 0.78 CHAT (0.50) NPFFR2
SCHEMBL7807620 0.78 CHAT (0.50) NPFFR2
SCHEMBL2096623 0.77 NPFFR2 (0.50) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL2096625 0.77 NPFFR2 (0.50) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL46855 0.74 NPFFR2 (0.54) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL9005576 0.73 NPFFR2 (0.47) NPFFR2NPFFR1KDRHDAC1HDAC8
SCHEMBL2325457 0.73 NPFFR2 (0.50) NPFFR2NPFFR1KDRHDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0650480-B1 1-ARYLSULPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMA CORP (US) 2001-11-21 EP disclosed
US-5684151-A PROGESTIN AGONISTS ORTHO PHARMACEUTICAL CORPORATION (US) 1997-11-04 US disclosed
EP-0650480-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1995-05-03 EP disclosed
WO-1994001412-A1 1-ARYLSULPHONYL, ARYLCARBONYL AND 1-ARYLPHOSPHONYL-3-PHENYL-1,4,5,6-TETRAHYDROPYRIDAZINES ORTHO PHARMACEUTICAL CORPORATION (US) 1994-01-20 WO disclosed