SCHEMBL10813064

SCHEMBL10813064

O=C(CBr)Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.76
GABRD O14764 2/20 0.76
GABRA1 P14867 2/20 0.76
GABRB1 P18505 2/20 0.76
GABRG2 P18507 2/20 0.76
GABRB3 P28472 2/20 0.76
GABRA5 P31644 2/20 0.76
GABRA3 P34903 2/20 0.76
GABRA2 P47869 2/20 0.76
GABRB2 P47870 2/20 0.76
GABRA4 P48169 2/20 0.76
GABRE P78334 2/20 0.76
GABRA6 Q16445 2/20 0.76
GABRG1 Q8N1C3 2/20 0.76
GABRG3 Q99928 2/20 0.76
GABRQ Q9UN88 2/20 0.76
CYP1A2 P05177 3/20 0.59
CYP2C19 P33261 2/20 0.59
MAPK1 P28482 2/20 0.59
MAPT P10636 5/20 0.59

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
SCHEMBL2991610 0.88 GABRP (0.78) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8635787 0.87 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9380266 0.87 GABRP (0.58) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11061295 0.86 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7936060 0.86 GABRP (0.76) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL31048907 0.85 SMN1; SMN2 (0.69) CYP1A2CYP2C19MAPK1MAPTLMNA
SCHEMBL11538033 0.85 SMN1; SMN2 (0.69) CYP1A2CYP2C19MAPK1MAPTLMNA
SCHEMBL11824528 0.83 GABRP (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30192167 0.83 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6907111 0.83 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0143016-B1 DERIVATIVES OF 4-(3-ALKYNYLOXY-2-HYDROXY-PROPYL)-PIPERAZIN-1-YL-N-PHENYL ACETAMIDE, THEIR PREPARATION AND THEIR THERAPEUTICAL USE RIOM LABORATOIRES- C.E.R.M. "R.L.-CERM" - (S.A.) (FR) 1987-07-29 EP disclosed
EP-0143016-A1 Derivatives of 4-(3-alkynyloxy-2-hydroxy-propyl)-piperazin-1-yl-N-phenyl acetamide, their preparation and their therapeutical use RIOM LABORATOIRES- C.E.R.M. "R.L.-CERM" - (S.A.) (FR) 1985-05-29 EP disclosed
US-4476061-A ANXIOLYTIC AGENTS PIERRE FABRE, SA (FR) 1984-10-09 US disclosed
US-4409241-A Method of treating anxiety with 2'-(orthochlorobenzoyl)-4'-chloroglycylanilides, and compositions thereof PIERRE FABRE S.A. (FR) 1983-10-11 US disclosed
US-4382930-A 2'-(Orthochlorobenzoyl)-4'-chloroglycylanilides, compositions thereof, and use as medicaments PIERRE FABRE S.A. (FR) 1983-05-10 US disclosed
US-4380667-A ANXIOLYTIC AGENTS PIERRE FABRE S.A. (FR) 1983-04-19 US disclosed
US-4370347-A Method of treating anxiety with 2'-(orthochlorobenzoyl)-4'-chloroglycylanilides, and compositions thereof PIERRE FABRE S.A. (FR) 1983-01-25 US disclosed
US-3996209-A Process for preparing benzodiazepines HOFFMANN-LA ROCHE INC. (US) 1976-12-07 US disclosed