SCHEMBL6997233

SCHEMBL6997233

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 1.00
ALDH1A1 P00352 4/20 1.00
MAPT P10636 3/20 1.00
LMNA P02545 3/20 1.00
SLC6A3 Q01959 3/20 0.77
MEN1 O00255 3/20 0.50
MAPK1 P28482 1/20 0.50
CNR2 P34972 3/20 0.42
CNR1 P21554 2/20 0.42
KDM2B Q8NHM5 1/20 0.41

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) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7003749 0.87 KMT2A (0.77) KMT2AALDH1A1MAPTLMNASLC6A3
Flazalone SCHEMBL43716 0.87 KMT2A (1.00) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL6998081 0.87 KMT2A (0.77) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7001736 0.85 KMT2A (0.73) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7004017 0.84 KMT2A (1.00) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7001081 0.84 KMT2A (0.72) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL4194116 0.83 SLC6A3 (1.00) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7002087 0.81 SLC6A3 (0.79) KMT2AALDH1A1MAPTLMNASLC6A3
SCHEMBL7001626 0.80 KMT2A (0.70) KMT2AALDH1A1MAPTLMNASLC6A3

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