SCHEMBL7001985

SCHEMBL7001985

Cc1ccc(C(=O)C2CN(C)CCC2(O)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.79
ALDH1A1 P00352 6/20 0.79
SLC6A3 Q01959 4/20 0.79
MAPT P10636 3/20 0.79
LMNA P02545 3/20 0.79
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
OPRM1 P35372 1/20 0.41
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL7003749 0.88 KMT2A (0.77) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL6997233 0.88 KMT2A (1.00) KMT2AALDH1A1SLC6A3MAPTLMNA
Flazalone SCHEMBL43716 0.88 KMT2A (1.00) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL6998081 0.88 KMT2A (0.77) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL7001736 0.86 KMT2A (0.73) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL7004017 0.85 KMT2A (1.00) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL7004826 0.83 KMT2A (0.60) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL11747155 0.83 KMT2A (0.56) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL6995030 0.82 SLC6A3 (0.69) KMT2AALDH1A1SLC6A3MAPTLMNA
SCHEMBL7002087 0.79 SLC6A3 (0.79) KMT2AALDH1A1SLC6A3MAPTLMNA

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