SCHEMBL7005600

SCHEMBL7005600

Clc1cccc(CC(Br)c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.53
SLC6A2 P23975 1/20 0.51
SLC6A4 P31645 1/20 0.51
IDO1 P14902 3/20 0.48
TDO2 P48775 1/20 0.48
LMNA P02545 1/20 0.48
TACR1 P25103 3/20 0.47
SIGMAR1 Q99720 1/20 0.46
CTSB P07858 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 2/20 0.42
AGXT P21549 2/20 0.42
GRIN2B Q13224 1/20 0.41
HSD17B2 P37059 1/20 0.41
ACP3 P15309 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
SCHEMBL1641620 0.80 SLC6A2 (0.48) SLC6A2SLC6A4SIGMAR1TAAR1CYP3A4
SCHEMBL25517567 0.80 LMNA (0.65) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL7009003 0.79 SLC6A4 (0.47) SLC6A2SLC6A4IDO1TDO2SIGMAR1
SCHEMBL949577 0.79 PNMT (0.62) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL27666865 0.79 TAAR1 (0.46) SLC6A2SLC6A4IDO1LMNATACR1
Ammonia Solution, Strong SCHEMBL8867398 0.77 PNMT (0.61) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL5304517 0.76 PNMT (0.54) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL4668971 0.76 PNMT (0.69) PNMTIDO1LMNASIGMAR1TAAR1
SCHEMBL22394811 0.75 MEN1 (0.56) PNMTSLC6A2SLC6A4IDO1TDO2
SCHEMBL11824738 0.74 PNMT (0.56) PNMTSLC6A2SLC6A4IDO1SIGMAR1

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-1267906-A1 LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION Bristol-Myers Squibb Pharma Company (US) 2003-01-02 EP claimed
WO-2001072324-A1 LACTAMS AS INHIBITORS OF A-BETA PROTEIN PRODUCTION BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-10-04 WO claimed