SCHEMBL5353756

SCHEMBL5353756

O=C1NCCC12CCCN2Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.45
CYP2D6 P10635 7/20 0.45
CYP3A4 P08684 6/20 0.45
CYP2C19 P33261 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.43
HSD11B1 P28845 8/20 0.41
SLC6A9 P48067 1/20 0.39
CYP2C9 P11712 5/20 0.38
CYP1A2 P05177 3/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL1555927 0.87 SLC6A9 (0.50) OPRL1CYP2D6HSD11B1SLC6A9MEN1
SCHEMBL5345057 0.80 HSD11B1 (0.47) OPRL1CYP3A4ALDH1A1HPGDHSD11B1
SCHEMBL18681238 0.74 SLC6A9 (0.40) OPRL1HSD11B1SLC6A9
SCHEMBL2298882 0.73 HSD11B1 (0.76) HSD11B1
SCHEMBL2300119 0.73 HSD11B1 (0.60) HSD11B1MEN1KMT2A
SCHEMBL19851208 0.71 OPRL1 (0.45) OPRL1CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL19852918 0.71 HSD11B1 (0.48) OPRL1HSD11B1SLC6A9
SCHEMBL19851211 0.70 OPRL1 (0.44) OPRL1CYP2C19ALDH1A1HPGDSLC6A9
SCHEMBL19851209 0.70 OPRL1 (0.50) OPRL1CYP2D6CYP3A4CYP2C19ALDH1A1
SCHEMBL21225675 0.69 SLC6A9 (0.44) OPRL1ALDH1A1HSD11B1SLC6A9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007084314-A2 MODULATORS OF 11-ß HYDROXYL STEROID DEHYDROGENASE TYPE 1, PHARMACEUTICAL COMPOSITIONS THEREOF, AND METHODS OF USING THE SAME INCYTE CORPORATION (US) 2007-07-26 WO claimed