SCHEMBL6609542

SCHEMBL6609542

CC(N)CCCNC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
TP53 P04637 1/20 0.41
DPP7 Q9UHL4 2/20 0.40

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
SCHEMBL6608405 0.84 EPHX1 (0.46) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL13937744 0.84 ANPEP (0.40) TP53DPP7C3AR1ANPEPRNPEP
SCHEMBL20375714 0.84 DPP7 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18174521 0.84 DPP7 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3933174 0.83 GABRP (0.46) ALDH1A1TDP1GABRPGABRDGABRA1
SCHEMBL7763876 0.82 DPP7 (0.38) ALDH1A1TDP1DPP7RRM1OTC
SCHEMBL23685344 0.79 KISS1R (0.38) ALDH1A1DPP7RRM1OTCC3AR1
SCHEMBL23710264 0.79 DPP7 (0.38) DPP7RRM1C3AR1GNAI3GNAO1
SCHEMBL15382672 0.79 GABRR1 (0.48) OTCC3AR1
SCHEMBL23220254 0.79 DPP7 (0.42) ALDH1A1DPP7RRM1OTCC3AR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1075553-B1 ZINC AND ZINC ALLOY ELECTROPLATING ADDITIVES AND ELECTROPLATING METHODS MACDERMID PLC (GB) 2004-05-12 EP claimed
EP-1075553-A2 ZINC AND ZINC ALLOY ELECTROPLATING ADDITIVES AND ELECTROPLATING METHODS MacDermid Plc (GB) 2001-02-14 EP claimed
WO-2000050669-A2 ZINC AND ZINC ALLOY ELECTROPLATING ADDITIVES AND ELECTROPLATING METHODS MACDERMID CANNINC PLC (GB) 2000-08-31 WO claimed
US-7157497-B2 Method of enhancing an ornithine-urea cycle in ruminant gut tissues to detoxify ammonia and increase local urea recycling to the rumen for microbial protein synthesis UNIVERSITY OF MARYLAND 2007-01-02 US disclosed
EP-1075553-B1 ZINC AND ZINC ALLOY ELECTROPLATING ADDITIVES AND ELECTROPLATING METHODS MACDERMID PLC (GB) 2004-05-12 EP disclosed