SCHEMBL7001284

SCHEMBL7001284

O=C(c1ccc(Cl)cc1)C1CNCCC1(CO)c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 1/20 0.44
DRD2 P14416 1/20 0.42
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL7001987 0.88 KMT2A (0.43) LMNAMAPTALDH1A1KMT2ASLC6A3
SCHEMBL7001738 0.86 ALDH1A1 (0.36) LMNAMAPTALDH1A1KMT2ASLC6A3
SCHEMBL7002582 0.82 SLC6A3 (0.48) SLC6A3
SCHEMBL7004831 0.81 REN (0.42) DRD2SLC6A3
SCHEMBL7002089 0.79 SLC6A2 (0.39) SLC6A3
SCHEMBL7005083 0.79 SLC6A4 (0.41) SLC6A3
SCHEMBL6995034 0.79 SLC6A3 (0.38) ALDH1A1KMT2ATP53SLC6A3
SCHEMBL7003952 0.73 SLC6A4 (0.51) SLC6A3
SCHEMBL7001083 0.73 ALDH1A1 (0.39) LMNAMAPTALDH1A1KMT2ADRD2
SCHEMBL7005112 0.73 SLC6A3 (0.48) MAPTALDH1A1SLC6A3

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