SCHEMBL13503244

SCHEMBL13503244

CCC(C)N(C)CC1CCNC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.35
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA4 P48169 1/20 0.35
KCNH2 Q12809 1/20 0.32

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
SCHEMBL19123358 0.84 SLC6A1 (0.38) USP30SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL13503183 0.83 SLC6A1 (0.38) USP30SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL728213 0.74
SCHEMBL10059951 0.74
SCHEMBL10060804 0.74
SCHEMBL13452891 0.73 SHBG (0.37)
SCHEMBL30150910 0.73 SLC6A1 (0.39) USP30SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL10562710 0.73 SLC6A1 (0.39) USP30SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL25960704 0.73 SLC6A1 (0.39) USP30SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL12339289 0.73 SLC6A1 (0.36) USP30SLC6A1GABRA5GABRB2SLC6A12

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-7667052-B2 Bioactive substance EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-02-23 US disclosed