SCHEMBL9154159

SCHEMBL9154159

CN(C(=O)CN(C(=O)CN)c1ccccc1)c1cc(F)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
KIF11 P52732 4/20 0.35
KCNH2 Q12809 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
AGTR2 P50052 1/20 0.35

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
SCHEMBL9154411 0.90 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9158562 0.87 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9153519 0.84 SLC6A2 (0.41) LTB4R2AGTR2AOC3SLC6A2SLC6A4
SCHEMBL9152131 0.83 MAPT (0.42) AGTR2
SCHEMBL9153579 0.82 KMT2A (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9157349 0.81 ALDH1A1 (0.44) KIF11
SCHEMBL8860046 0.80 KMT2A (0.46) ADRA2CAOC3
SCHEMBL9152749 0.77 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9152678 0.76 HTR3E (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9134193 0.76 MTNR1A (0.43)

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-5382590-A Gastrointestinal disorders and nervous system disorders RHONE-POULENC RORER S.A. (FR) 1995-01-17 US disclosed