SCHEMBL7004826

SCHEMBL7004826

CCN1CCC(O)(c2ccc(C)cc2)C(C(=O)c2ccc(C)cc2)C1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
ALDH1A1 P00352 5/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
MAPK1 P28482 1/20 0.57
SLC6A3 Q01959 3/20 0.56
AQP1 P29972 1/20 0.49
CCR6 P51684 1/20 0.48
DRD2 P14416 1/20 0.41
KDM2B Q8NHM5 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
SCHEMBL10107795 0.94 KMT2A (0.66) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL14081616 0.89 KMT2A (0.72) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7001081 0.89 KMT2A (0.72) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11746033 0.86 KMT2A (0.78) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7001985 0.83 KMT2A (0.79) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL6995090 0.80 SLC6A3 (0.74) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11747155 0.80 KMT2A (0.56) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL7001736 0.75 KMT2A (0.73) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL13562203 0.75 KMT2A (1.00) KMT2AALDH1A1LMNAMAPTMEN1
SCHEMBL11740905 0.75 KMT2A (1.00) KMT2AALDH1A1LMNAMAPTMEN1

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