SCHEMBL7005083

SCHEMBL7005083

O=C(c1cccc(Cl)c1)C1CNCCC1(CO)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
KCNA3 P22001 1/20 0.38
HSD11B1 P28845 1/20 0.37
REN P00797 1/20 0.37
SSTR1 P30872 1/20 0.36
SSTR4 P31391 1/20 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
SCHEMBL7002582 0.80 SLC6A3 (0.48) SLC6A4SLC6A3SLC6A2
SCHEMBL7001284 0.79 LMNA (0.44) SLC6A3
SCHEMBL7004831 0.79 REN (0.42) SLC6A4SLC6A3SLC6A2REN
SCHEMBL7002089 0.77 SLC6A2 (0.39) SLC6A4SLC6A3SLC6A2
SCHEMBL6995034 0.76 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2
SCHEMBL7005112 0.73 SLC6A3 (0.48) SLC6A4SLC6A3SLC6A2REN
SCHEMBL7001987 0.73 KMT2A (0.43) SLC6A4SLC6A3SLC6A2
SCHEMBL7004059 0.72 UGCG (0.39) SLC6A4SLC6A3SLC6A2REN
SCHEMBL7003952 0.71 SLC6A4 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL7001738 0.71 ALDH1A1 (0.36) SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242080-A4 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE UNIV GEORGETOWN (US) 2003-01-22 EP claimed
EP-1242080-A1 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE GEORGETOWN UNIVERSITY (US) 2002-09-25 EP claimed
WO-2001022964-A1 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE GEORGETOWN UNIVERSITY (US) 2001-04-05 WO claimed
EP-1242080-A4 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE UNIV GEORGETOWN (US) 2003-01-22 EP disclosed
EP-1242080-A1 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE GEORGETOWN UNIVERSITY (US) 2002-09-25 EP disclosed
WO-2001022964-A1 DOPAMINE TRANSPORTER INHIBITORS AND THEIR USE GEORGETOWN UNIVERSITY (US) 2001-04-05 WO disclosed