SCHEMBL17082145

SCHEMBL17082145

O=C(N1CCN(c2ccc(Cl)cc2)CC1)N1CCC[C@@]2(CCN([C@H]3CC[C@H](O)CC3)C2=O)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
HSD11B1 P28845 4/20 0.46
GFER P55789 3/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.38
ADAMTS5 Q9UNA0 1/20 0.37

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
SCHEMBL549158 1.00 AKR1C3 (0.52) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL549159 1.00 AKR1C3 (0.52) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL550355 0.90 AKR1C3 (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL550354 0.90 AKR1C3 (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL550557 0.89 AKR1C3 (0.47) AKR1C3ALDH1A1LMNAHTTHSD11B1
SCHEMBL551118 0.89 MAPT (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL17082051 0.89 AKR1C3 (0.47) AKR1C3ALDH1A1LMNAHTTHSD11B1
SCHEMBL550556 0.89 AKR1C3 (0.47) AKR1C3ALDH1A1LMNAHTTHSD11B1
SCHEMBL551119 0.89 MAPT (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL17082076 0.89 MAPT (0.46) AKR1C3ALDH1A1SMN1; SMN2LMNAHPGD

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
EP-1812005-B1 LACTAM COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2015-09-16 EP disclosed