SCHEMBL7626581

SCHEMBL7626581

Cc1cccc(N(C(N)=O)[C@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 16/20 0.55
KCNH2 Q12809 1/20 0.55
CCKAR P32238 1/20 0.52
GABRP O00591 1/20 0.52
GABRD O14764 1/20 0.52
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRA2 P47869 1/20 0.52
GABRB2 P47870 1/20 0.52
GABRA4 P48169 1/20 0.52
GABRE P78334 1/20 0.52
GABRA6 Q16445 1/20 0.52
GABRG1 Q8N1C3 1/20 0.52
GABRG3 Q99928 1/20 0.52
GABRQ Q9UN88 1/20 0.52
NOTCH1 P46531 1/20 0.48

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
SCHEMBL8863378 1.00 CCKBR (0.55) CCKBRKCNH2CCKARGABRPGABRD
SCHEMBL9867211 0.88 CCKBR (0.56) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL9867739 0.86 CCKBR (0.58) CCKBRKCNH2CCKARGABRPGABRD
SCHEMBL7312531 0.85 CCKBR (0.40) CCKBRKCNH2CCKARGABRPGABRD
SCHEMBL10520112 0.84 CCKBR (0.59) CCKBRCCKARGABRPGABRDGABRA1
SCHEMBL7308632 0.84 CCKBR (0.41) CCKBRKCNH2CCKARNOTCH1NOTCH3
SCHEMBL9273794 0.84 CCKBR (0.48) CCKBRKCNH2CCKARGABRPGABRD
SCHEMBL9368599 0.81 CCKBR (0.57) CCKBRKCNH2
SCHEMBL9260497 0.81 CCKBR (0.46) CCKBRKCNH2CCKARGABRPGABRD
SCHEMBL7827288 0.81 CCKBR (0.58) CCKBRKCNH2

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
EP-1023072-B1 ANALGESIC COMPOSITIONS COMPRISING A CHOLECYSTOKININ AND AN OPIOID PANOS THERAPEUTICS LTD (GB) 2002-12-11 EP disclosed