Sugi Predict

Sugi Predict / Compounds / SCHEMBL7003952

SCHEMBL7003952

SCHEMBL7003952

O=C(C1CNCCC1(CO)c1ccc(Cl)c(Cl)c1)C1CNCCC1(CO)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 19/20 0.51
▸ SLC6A2 P23975 17/20 0.51
▸ SLC6A3 Q01959 11/20 0.50

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 0.87 SLC6A3 (0.48) SLC6A4SLC6A2SLC6A3
SCHEMBL7004059 0.79 UGCG (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL7002089 0.77 SLC6A2 (0.39) SLC6A4SLC6A2SLC6A3
SCHEMBL7001284 0.73 LMNA (0.44) SLC6A3
SCHEMBL6995928 0.73 SLC6A3 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL7005083 0.71 SLC6A4 (0.41) SLC6A4SLC6A2SLC6A3
SCHEMBL6995034 0.71 SLC6A3 (0.38) SLC6A4SLC6A2SLC6A3
SCHEMBL7004831 0.71 REN (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL7003896 0.70 SLC6A3 (0.42) SLC6A4SLC6A2SLC6A3
SCHEMBL7001987 0.69 KMT2A (0.43) SLC6A4SLC6A2SLC6A3

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 3 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