SCHEMBL6997648

SCHEMBL6997648

CN1CCC(O)(c2ccc(Cl)cc2Cl)C(C(O)c2ccc(Cl)cc2Cl)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 1.00
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TP53 P04637 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ UGCG Q16739 4/20 0.35
▸ GRIN2B Q13224 3/20 0.35
▸ MEN1 O00255 1/20 0.33
▸ DRD2 P14416 1/20 0.32

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
SCHEMBL7004056 0.76 SLC6A3 (0.78) SLC6A3SLC6A2SLC6A4LMNAKMT2A
SCHEMBL6997259 0.72 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4LMNAKMT2A
SCHEMBL6998367 0.68 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4LMNAKMT2A
SCHEMBL3111862 0.67 SLC6A3 (0.50) SLC6A3SLC6A2SLC6A4LMNAMAPT
SCHEMBL6041278 0.67 KMT2A (0.59) SLC6A3LMNAKMT2AALDH1A1MAPT
SCHEMBL1348375 0.67 SLC6A3 (0.49) SLC6A3LMNAMAPTTP53HTT
SCHEMBL6043390 0.64 KMT2A (0.55) SLC6A3LMNAKMT2AALDH1A1MAPT
SCHEMBL1350533 0.63 NPSR1 (0.47) SLC6A3LMNATP53HTTGRIN2B
SCHEMBL6999803 0.63 SLC6A3 (1.00) SLC6A3LMNAKMT2AALDH1A1MAPT
SCHEMBL3444521 0.62 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4ALDH1A1CYP3A4

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
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