SCHEMBL4564142

SCHEMBL4564142

CC1(C)OC=CCC1c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 5/20 0.39
RCOR1 Q9UKL0 5/20 0.39
MAPK1 P28482 2/20 0.36
LIG1 P18858 1/20 0.36
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CHRNA7 P36544 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
TAAR1 Q96RJ0 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
ELANE P08246 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
SCHEMBL4339855 0.69 KDM1A (0.53) KDM1ARCOR1MAPK1LIG1MEN1
SCHEMBL12013615 0.66 LMNA (0.46) KDM1ARCOR1MAPK1CHRNA7MEN1
SCHEMBL10699001 0.64 SLC6A2 (0.44) SLC6A2SLC6A3CHRNA7TAAR1
SCHEMBL25381591 0.64 SLC6A2 (0.44) SLC6A2SLC6A3CHRNA7TAAR1
SCHEMBL30052241 0.62 KDM1A (0.42) KDM1ARCOR1MAPK1LIG1CHRNA7
SCHEMBL10750020 0.62 LIG1 (0.46) KDM1ARCOR1MAPK1LIG1SLC6A2
Bicarbonate SCHEMBL10971534 0.62 MAPK1 (0.50) KDM1ARCOR1MAPK1LIG1MEN1
SCHEMBL9515156 0.61 KDM1A (0.49) KDM1ARCOR1MAPK1LIG1MEN1
SCHEMBL9515155 0.61 KDM1A (0.49) KDM1ARCOR1MAPK1LIG1MEN1
SCHEMBL10292141 0.60 HTR3A (0.49) KDM1ARCOR1LIG1SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2109615-A1 SUBSTITUTED PYRANO [2, 3 - B]PYRIDINE DERIVATIVES AS CANNABINOID-1 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2009-10-21 EP disclosed
WO-2008094476-A1 SUBSTITUTED PYRANO [2, 3 - B] PYRIDINE DERIVATIVES AS CANNABINOID -1 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2008-08-07 WO disclosed