SCHEMBL7330681

SCHEMBL7330681

CC(=O)Nc1ccc(Cl)cc1C(=O)c1c(F)cccc1F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.60
HSD17B10 Q99714 1/20 0.60
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRA1 P14867 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRG2 P18507 2/20 0.51
GABRB3 P28472 2/20 0.51
GABRA5 P31644 2/20 0.51
GABRA3 P34903 2/20 0.51
GABRA2 P47869 2/20 0.51
GABRB2 P47870 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL19268077 0.87 GABRP (0.47) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL11835391 0.86 KDM4E (0.60) KDM4EHSD17B10GABRPGABRDGABRA1
SCHEMBL7324248 0.83 GABRP (0.75) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL7328152 0.83 GABRP (0.57) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL23881573 0.81 KDM4E (0.56) KDM4EMAPTGAALMNAALDH1A1
SCHEMBL30089323 0.81 KDM4E (0.56) KDM4EMAPTGAALMNAALDH1A1
SCHEMBL11822995 0.80 KDM4E (0.63) KDM4EHSD17B10MAPTGAALMNA
SCHEMBL11626329 0.79 GABRP (0.44) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL11827090 0.78 MAPT (0.72) KDM4EHSD17B10MAPTGAALMNA
SCHEMBL11824528 0.78 GABRP (0.71) KDM4EHSD17B10GABRPGABRDGABRA1

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
US-4000151-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed
US-4000153-A TRANQUILIZERS, SEDATIVES THE UPJOHN COMPANY (US) 1976-12-28 US disclosed
US-3987052-A SEDATIVES, TRANQUILIZERS, MUSCLE RELAXANTS THE UPJOHN COMPANY (US) 1976-10-19 US disclosed
US-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed