SCHEMBL4750831

SCHEMBL4750831

CCCOc1ccc(C(F)(F)F)cc1N1CC[N]CC1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ADRB2 P07550 1/20 0.36
NCF1 P14598 1/20 0.36
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
HTR6 P50406 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
NR1I2 O75469 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
SCHEMBL4753360 0.94 PTGDR2 (0.46) FFAR4PTGDR2PPARGPPARDPPARA
SCHEMBL4751044 0.90 CYP1A2 (0.44) FFAR4ALDH1A1HSD17B10MAPTSMN1; SMN2
SCHEMBL4752820 0.82 FFAR4 (0.51) FFAR4ALDH1A1KDM4EHTR6NR1I2
SCHEMBL9500980 0.76 DRD2 (0.52) ALDH1A1HSD17B10MAPTSMN1; SMN2KDM4E
SCHEMBL14471138 0.76 PPARG (0.51) PTGDR2PPARGPPARDPPARAALDH1A1
SCHEMBL10694240 0.71 KDM4E (0.42) ALDH1A1HSD17B10MAPTSMN1; SMN2KDM4E
SCHEMBL10352193 0.70 L3MBTL1 (0.60) PTGDR2PPARGPPARDPPARAALDH1A1
SCHEMBL9579386 0.70 DRD2 (0.58) ALDH1A1HSD17B10L3MBTL1
SCHEMBL384449 0.68 L3MBTL1 (0.43) PTGDR2PPARGPPARDPPARAALDH1A1
SCHEMBL385394 0.68 L3MBTL1 (0.43) PTGDR2PPARGPPARDPPARAALDH1A1

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
WO-2008146063-A1 NEW BENZOFURAN DERIVATIVES AS SELECTIVE 5HT6 RECEPTOR INHIBITORS AND PROCESS FOR THEIR PREPARATION EGIS GYÓGYSZERGYÁR Nyilvánosan Müködö Részvénytársagág (HU) 2008-12-04 WO disclosed