SCHEMBL5568091

SCHEMBL5568091

O[C@H]1CC[C@@H](N2CCC3(CCCNC3)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.46
CYP3A4 P08684 10/20 0.46
CYP2D6 P10635 8/20 0.46
CYP1A2 P05177 5/20 0.46
USP2 O75604 5/20 0.46
HSD17B10 Q99714 5/20 0.44
TSHR P16473 3/20 0.44
CYP2C9 P11712 2/20 0.43
MAPK1 P28482 4/20 0.42
CYP2C19 P33261 3/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL3 Q96JM7 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
RPS6KA5 O75582 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 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
SCHEMBL17008457 1.00 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
SCHEMBL2633405 0.83 L3MBTL3 (0.49) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
SCHEMBL2110081 0.83 L3MBTL3 (0.49) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
Hydrochloric Acid SCHEMBL16059731 0.82 TSHR (0.50) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
SCHEMBL23063180 0.77 L3MBTL3 (0.37) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
Trifluoroacetic Acid SCHEMBL30567860 0.75 L3MBTL3 (0.49) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
SCHEMBL13931106 0.73 L3MBTL3 (0.44) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
SCHEMBL24718107 0.73 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
SCHEMBL346460 0.72 CYP2D6 (0.39) ALDH1A1CYP3A4CYP2D6CYP1A2USP2
SCHEMBL13931105 0.72 HRH3 (0.45) ALDH1A1CYP3A4CYP2D6CYP1A2USP2

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 disclosed
WO-2006053024-A2 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-05-18 WO disclosed