SCHEMBL7996483

SCHEMBL7996483

CCN(CC)CC(O)c1cccc2cc(C)c(C)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 1/20 0.43
RAD52 P43351 1/20 0.40
HIF1A Q16665 1/20 0.37
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MC4R P32245 1/20 0.33
ACHE P22303 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
NPY1R P25929 1/20 0.31
NPY2R P49146 1/20 0.31
ATM Q13315 1/20 0.31
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CYP3A4 P08684 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL7997533 0.87 CYP1A2 (0.41) CYP2D6CYP1A2RAD52KDM4EKMT2A
SCHEMBL7997535 0.87 CYP1A2 (0.41) CYP2D6CYP1A2RAD52KDM4EKMT2A
SCHEMBL7121500 0.84 PDE10A (0.43) CYP2D6CYP1A2RAD52KDM4EKMT2A
Hydrochloric Acid SCHEMBL7118613 0.83 PDE10A (0.42) CYP2D6CYP1A2RAD52KDM4EKMT2A
SCHEMBL8003716 0.81 METAP2 (0.45) CYP2D6CYP1A2RAD52KDM4EKMT2A
SCHEMBL8003234 0.77 PARP1 (0.46) CYP2D6CYP1A2RAD52KMT2AMEN1
SCHEMBL8003231 0.77 PARP1 (0.46) CYP2D6CYP1A2RAD52KMT2AMEN1
SCHEMBL8006013 0.76 PARP1 (0.34) KMT2AMEN1ATM
SCHEMBL7774855 0.76 KMT2A (0.38) KDM4EKMT2AMEN1MAPK1L3MBTL1
SCHEMBL7779987 0.73 MEN1 (0.33) CYP2D6KDM4EKMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000018845-A1 UV CURABLE GEL COATS REICHHOLD, INC. (US) 2000-04-06 WO claimed
WO-2000015617-A1 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-03-23 WO claimed
WO-2000018845-A1 UV CURABLE GEL COATS REICHHOLD, INC. (US) 2000-04-06 WO disclosed
WO-2000015617-A1 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-03-23 WO disclosed