SCHEMBL6997259

SCHEMBL6997259

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 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 6/20 1.00
▸ KMT2A Q03164 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ MAPT P10636 2/20 0.56
▸ LMNA P02545 1/20 0.56
▸ P2RX7 Q99572 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ SLC6A9 P48067 2/20 0.39
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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 0.88 SLC6A3 (0.78) SLC6A3KMT2AALDH1A1MAPTLMNA
SCHEMBL6999061 0.81 SLC6A3 (0.68) SLC6A3KMT2AALDH1A1MAPTLMNA
SCHEMBL6997648 0.72 SLC6A3 (1.00) SLC6A3KMT2AALDH1A1MAPTLMNA
SCHEMBL6997233 0.72 KMT2A (1.00) SLC6A3KMT2AALDH1A1MAPTLMNA
SCHEMBL7001994 0.70 KMT2A (0.68) SLC6A3KMT2AALDH1A1MAPTLMNA
SCHEMBL4194116 0.68 SLC6A3 (1.00) SLC6A3KMT2AALDH1A1MAPTLMNA
SCHEMBL3111862 0.67 SLC6A3 (0.50) SLC6A3MAPTLMNASLC6A2SLC6A4
SCHEMBL1350422 0.67 TSHR (0.50) SLC6A3KMT2AALDH1A1MAPTP2RX7
SCHEMBL7001403 0.67 SLC6A3 (0.78) SLC6A3KMT2AALDH1A1MAPTLMNA
SCHEMBL7002087 0.67 SLC6A3 (0.79) SLC6A3KMT2AALDH1A1MAPTLMNA

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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