SCHEMBL7238807

SCHEMBL7238807

CC(C)(C)C(=O)NCC1CNCCN1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.33
FAP Q12884 1/20 0.33
ALOX15 P16050 1/20 0.30
SLC6A1 P30531 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRB2 P47870 2/20 0.30
SLC6A12 P48065 2/20 0.30
SLC6A11 P48066 2/20 0.30
SLC6A13 Q9NSD5 2/20 0.30
GBA1 P04062 1/20 0.30
GABRA1 P14867 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRA4 P48169 1/20 0.30

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
Hydrochloric Acid SCHEMBL7231358 0.98 PREP (0.32) PREPFAP
SCHEMBL10413581 0.83 ALDH1A1 (0.37)
SCHEMBL30801954 0.80 EPHX1 (0.38)
SCHEMBL12496309 0.80 EPHX1 (0.38)
SCHEMBL23113551 0.79 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL18150403 0.79 SLC6A1 (0.33) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL15725266 0.78 EPHX1 (0.37)
SCHEMBL15741857 0.77 CYP2D6 (0.33) ALOX15SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL25590871 0.76 PREP (0.38) PREPFAPALOX15SLC6A1GABRA5
SCHEMBL10223278 0.76 SLC6A1 (0.47) PREPFAPALOX15SLC6A1GABRA5

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-6531476-B1 Block multiplication of virus within body and restore immune functions by virtue of inhibitory activity toward platelet activating factor UNIVERSITE PARIS 7 - DENIS DIDEROT (FR) 2003-03-11 US disclosed