SCHEMBL8577392

SCHEMBL8577392

NCC(=O)Nc1ccccc1C(=O)c1ccccc1Cl

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.77
GABRD O14764 2/20 0.77
GABRA1 P14867 2/20 0.77
GABRB1 P18505 2/20 0.77
GABRG2 P18507 2/20 0.77
GABRB3 P28472 2/20 0.77
GABRA5 P31644 2/20 0.77
GABRA3 P34903 2/20 0.77
GABRA2 P47869 2/20 0.77
GABRB2 P47870 2/20 0.77
GABRA4 P48169 2/20 0.77
GABRE P78334 2/20 0.77
GABRA6 Q16445 2/20 0.77
GABRG1 Q8N1C3 2/20 0.77
GABRG3 Q99928 2/20 0.77
GABRQ Q9UN88 2/20 0.77
KDM4E B2RXH2 4/20 0.53
MAPK1 P28482 1/20 0.52
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 3/20 0.50

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
SCHEMBL11061295 0.87 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8635787 0.84 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2169180 0.83 MEN1 (0.68) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11303046 0.81 ALDH1A1 (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11826657 0.80 CYP2C19 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL7617639 0.80 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL28928381 0.80 GABRP (0.69) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9448420 0.80 NPC1 (0.59) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5443960 0.80 GABRP (0.59) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL7613349 0.79 ALDH1A1 (0.69) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5706829-A BENZODIAZEPINE DERIVATIVE CREIGHTON UNIVERSITY (US) 1998-01-13 US disclosed