SCHEMBL5686132

SCHEMBL5686132

CCc1c(C(=O)O)cc(F)c(N)c1C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.36
GABRD O14764 2/20 0.36
GABRA1 P14867 2/20 0.36
GABRB1 P18505 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA3 P34903 2/20 0.36
GABRA2 P47869 2/20 0.36
GABRB2 P47870 2/20 0.36
GABRA4 P48169 2/20 0.36
GABRE P78334 2/20 0.36
GABRA6 Q16445 2/20 0.36
GABRG1 Q8N1C3 2/20 0.36
GABRG3 Q99928 2/20 0.36
GABRQ Q9UN88 2/20 0.36
GRIA2 P42262 3/20 0.35
GRIA4 P48058 3/20 0.35
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33

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
SCHEMBL9820984 0.73 TRPV4 (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL17594424 0.73 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1706723 0.70 KDM4E (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14645962 0.70 KDM4E (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2848736 0.69 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL16411008 0.69 MAP2K1 (0.40) KDM4EKEAP1NOTUMNFE2L2
SCHEMBL3366721 0.69 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10822230 0.69 KDM4E (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28226170 0.69 KDM4E (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8377311 0.69 KDM4E (0.44) 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
EP-1645556-A1 Arylpiperazine-benzoylamide derivatives useful as pharmaceutical agents Boehringer Ingelheim International GmbH (DE) 2006-04-12 EP disclosed