SCHEMBL8358592

SCHEMBL8358592

CC1=NC=C(N2CCNCC2=O)CC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
SOS1 Q07889 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
SCHEMBL8306614 0.67 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL20038209 0.67 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3
SCHEMBL8286227 0.66 ADRB1 (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL20037520 0.66 PIM1 (0.41) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL20037529 0.65 SOS1 (0.35) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL13664821 0.65 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL18291188 0.65 TLR8 (0.38) SLC6A2SLC6A4SLC6A3
SCHEMBL6767507 0.64 ALDH1A1 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL20038317 0.64 RECQL (0.37) SLC6A2SLC6A4SLC6A3SOS1
SCHEMBL1578400 0.64 BPTF (0.43) SLC6A2SLC6A4SLC6A3

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-2003026652-A1 LACTAM-CONTAINING COMPOUNDS AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-03 WO disclosed