SCHEMBL11626329

SCHEMBL11626329

N#CCNc1ccc(Cl)cc1C(=O)c1c(F)cccc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
TAS1R3 Q7RTX0 2/20 0.43
TAS1R1 Q7RTX1 2/20 0.43
TAS1R2 Q8TE23 2/20 0.43
GAA P10253 3/20 0.41

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
SCHEMBL7330681 0.79 KDM4E (0.60) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11627602 0.79 CTSL (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7324248 0.76 GABRP (0.75) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7328152 0.76 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19268091 0.75 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19268077 0.75 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2354194 0.72 RECQL (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2509357 0.71 GAA (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18043792 0.70 GAA (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11681196 0.69 KMT2A (0.42) 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-4122034-A 2-AMINO-3-ARYL-HETEROINDENES SCHERING CORPORATION (US) 1978-10-24 US disclosed