SCHEMBL4554741

SCHEMBL4554741

CC(C)(CC(O)CCc1cc2ccccc2[nH]1)c1cccc(CN2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.38
PARP1 P09874 2/20 0.38
NOS1 P29475 1/20 0.37
CHRNA7 P36544 1/20 0.37
NCF1 P14598 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
CASR P41180 1/20 0.37
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.36
HSD17B10 Q99714 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL291494 0.78 NR3C1 (0.58)
SCHEMBL5822715 0.74 CNR2 (0.40) PARP1NOS1NCF1ALDH1A1HPGD
SCHEMBL3741669 0.74 NR3C1 (0.39) HRH4PARP1NOS1NCF1ALDH1A1
SCHEMBL300596 0.70 NCF1 (0.56) HRH3NOS1NCF1ALDH1A1HPGD
SCHEMBL270611 0.69 NCF1 (0.60) HRH3NOS1NCF1ALDH1A1HPGD
SCHEMBL5802292 0.68 NR3C1 (0.67)
SCHEMBL5798545 0.68 NR3C1 (0.58)
SCHEMBL292243 0.67 NR3C1 (0.61)
SCHEMBL9028313 0.67 HRH3 (0.54) HRH4HRH3CHRNA7ALDH1A1HPGD
SCHEMBL7848451 0.65 LOXL2 (0.50) HRH4HRH3CHRNA7

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-2061444-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY Bausch & Lomb Incorporated (US) 2009-05-27 EP disclosed
WO-2008033655-A2 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, AMELIORATING, OR PREVENTING ALLERGY BAUSCH & LOMB INCORPORATED (US) 2008-03-20 WO disclosed