SCHEMBL5569312

SCHEMBL5569312

O=C1N(C2CCOCC2)CC[C@@]12CCCN(c1ccccc1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
CHRM3 P20309 1/20 0.41
CYP3A4 P08684 10/20 0.40
CYP2C19 P33261 8/20 0.40
USP2 O75604 6/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 5/20 0.40
CYP2D6 P10635 3/20 0.40
HIF1A Q16665 3/20 0.39
CYP1A2 P05177 5/20 0.38
CYP2C9 P11712 5/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.36
HTR7 P34969 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
AKR1C3 P42330 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL550636 0.90 CHRM3 (0.42) HSD11B1CHRM3CYP3A4CYP2C19USP2
SCHEMBL550166 0.90 CHRM3 (0.42) HSD11B1CHRM3CYP3A4CYP2C19USP2
SCHEMBL550328 0.90 CHRM3 (0.42) HSD11B1CHRM3CYP3A4CYP2C19USP2
SCHEMBL5571628 0.88 HSD11B1 (0.42) HSD11B1CHRM3HRH3
SCHEMBL550322 0.88 CYP3A4 (0.41) HSD11B1CHRM3CYP3A4CYP2C19USP2
SCHEMBL550321 0.88 CYP3A4 (0.41) HSD11B1CHRM3CYP3A4CYP2C19USP2
SCHEMBL550765 0.85 HSD11B1 (0.40) HSD11B1CYP2C19ALDH1A1CYP2D6CYP1A2
SCHEMBL2699416 0.85 HSD11B1 (0.40) HSD11B1CYP2C19ALDH1A1CYP2D6CYP1A2
SCHEMBL2700977 0.84 ALDH1A1 (0.41) HSD11B1CYP3A4CYP2C19ALDH1A1CYP1A2
SCHEMBL3705343 0.84 ALDH1A1 (0.41) HSD11B1CYP3A4CYP2C19ALDH1A1CYP1A2

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-1812005-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-08-01 EP claimed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO claimed