SCHEMBL9384752

SCHEMBL9384752

COc1ccc(N2CCN(c3ccc(-n4cnn(CC(F)(F)F)c4=O)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
HSD17B3 P37058 1/20 0.47
PPARD Q03181 4/20 0.45
PPARA Q07869 4/20 0.45
PPARG P37231 1/20 0.45
MLYCD O95822 1/20 0.42
DRD2 P14416 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 2/20 0.41
CCR1 P32246 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL11074635 0.85 MAPT (0.67) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL20639883 0.84 PPARD (0.41) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL9039853 0.84 MAPT (0.55) MAPTPPARDPPARAPPARGHTT
SCHEMBL11069441 0.83 MAPT (0.64) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL14764626 0.82 MAPT (0.66) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL13499379 0.82 MAPT (0.60) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL9118588 0.81 METAP2 (0.42) MAPTPPARDPPARAHTTALDH1A1
SCHEMBL15912699 0.81 MAPT (0.61) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL7451368 0.81 MAPT (0.58) MAPTHSD17B3PPARDPPARAPPARG
SCHEMBL8501796 0.81 MAPT (0.64) MAPTHSD17B3PPARDPPARAPPARG

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-0331232-B1 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA NV (BE) 1994-05-18 EP disclosed
US-4931444-A FOR LEUKOTRIENE-MEDIATED DISEASES AND DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-05 US disclosed
EP-0331232-A2 5-lipoxygenase inhibiting 4-(4-phenyl-1-piperazinyl)phenols JANSSEN PHARMACEUTICA N.V. (BE) 1989-09-06 EP disclosed