SCHEMBL8007809

SCHEMBL8007809

CN1CCCC(COc2cc(-c3ccccc3)[nH]n2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
GABRA2 P47869 1/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
ATM Q13315 2/20 0.43
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL10199163 0.74 CARM1 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL7955402 0.73 MAOA (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL7946329 0.73 MAOA (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL7946323 0.73 MAOA (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL7953233 0.72 GABRA1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14577983 0.72 CHRNB4 (0.54) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3865957 0.71 PIM1 (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3262649 0.71 RAB9A (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL3870151 0.70 PIM1 (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4048768 0.69 PDE10A (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3

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
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed