SCHEMBL6998081

SCHEMBL6998081

CN1CCC(O)(c2ccc(I)cc2)C(C(=O)c2ccc(I)cc2)C1

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.77
▸ SLC6A3 Q01959 6/20 0.77
▸ ALDH1A1 P00352 4/20 0.77
▸ MAPT P10636 3/20 0.77
▸ LMNA P02545 3/20 0.77
▸ MEN1 O00255 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ OPRM1 P35372 2/20 0.41
▸ SLC6A2 P23975 2/20 0.36
▸ SLC6A4 P31645 2/20 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
SCHEMBL7001985 0.88 KMT2A (0.79) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL7003749 0.87 KMT2A (0.77) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL6997233 0.87 KMT2A (1.00) KMT2ASLC6A3ALDH1A1MAPTLMNA
Flazalone SCHEMBL43716 0.87 KMT2A (1.00) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL7001736 0.85 KMT2A (0.73) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL7004017 0.84 KMT2A (1.00) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL6995030 0.81 SLC6A3 (0.69) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL7001626 0.78 KMT2A (0.70) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL4194116 0.78 SLC6A3 (1.00) KMT2ASLC6A3ALDH1A1MAPTLMNA
SCHEMBL7002087 0.76 SLC6A3 (0.79) KMT2ASLC6A3ALDH1A1MAPTLMNA

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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