SCHEMBL7385597

SCHEMBL7385597

CC(CCCC(=O)O)CCC1CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.66
KDM5A P29375 1/20 0.39
KDM7A Q6ZMT4 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
PHF8 Q9UPP1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
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

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
SCHEMBL5695141 0.93 MAPT (0.58) MAPTKDM5AKDM4CPHF8KDM2A
SCHEMBL7376739 0.93 MAPT (0.58) MAPTKDM5AKDM4CPHF8KDM2A
SCHEMBL7171947 0.93 MAPT (0.76) MAPTKDM5AKDM7AKDM4CPHF8
SCHEMBL7378752 0.91 MAPT (0.56) MAPTKDM5AKDM4CPHF8KDM2A
SCHEMBL7387306 0.86 MAPT (0.67) MAPTKDM5AKDM7AKDM4CPHF8
SCHEMBL7382699 0.86 MAPT (0.67) MAPTKDM5AKDM7AKDM4CPHF8
SCHEMBL7377817 0.84 MAPT (0.65) MAPTKDM5AKDM4CPHF8KDM2A
SCHEMBL7380671 0.83 MAPT (0.54) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL14360701 0.82 LMNA (0.53) MAPTGABRPGABRDGABRA1GABRB1
SCHEMBL4983489 0.80 MAPT (0.59) MAPTKDM5AKDM4CPHF8KDM2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192125-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2002-04-03 EP disclosed
WO-2000076958-A2 MONO- AND DISUBSTITUTED 3-PROPYL GAMMA-AMINOBUTYRIC ACIDS WARNER-LAMBERT COMPANY (US) 2000-12-21 WO disclosed