SCHEMBL28228530

SCHEMBL28228530

CCc1c(C(=O)O)ccc(N)c1N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 4/20 0.41
GABRD O14764 4/20 0.41
GABRA1 P14867 4/20 0.41
GABRB1 P18505 4/20 0.41
GABRG2 P18507 4/20 0.41
GABRB3 P28472 4/20 0.41
GABRA5 P31644 4/20 0.41
GABRA3 P34903 4/20 0.41
GABRA2 P47869 4/20 0.41
GABRB2 P47870 4/20 0.41
GABRA4 P48169 4/20 0.41
GABRE P78334 4/20 0.41
GABRA6 Q16445 4/20 0.41
GABRG1 Q8N1C3 4/20 0.41
GABRG3 Q99928 4/20 0.41
GABRQ Q9UN88 4/20 0.41
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 3/20 0.38

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
SCHEMBL27835542 0.87 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8743511 0.79 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2927788 0.78 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5925552 0.77 TP53 (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7101456 0.77 MMP2 (0.50) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL5683319 0.76 GLA (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1706655 0.76 KEAP1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5683026 0.76 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5044664 0.75 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5925607 0.75 GABRP (0.45) 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
CN-108174603-A 1-heteroaryl-indoline-4-carboxamides as GPR52 modulators for the treatment or prevention of disorders related thereto 阿芮纳制药有限公司 2018-06-15 CN disclosed