SCHEMBL5504575

SCHEMBL5504575

O=C1CCCN1C1CCCC(Cc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.46
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
THRB P10828 1/20 0.44
GRIN2B Q13224 3/20 0.42
CCR3 P51677 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
MGLL Q99685 1/20 0.40

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
SCHEMBL5505692 0.92 HSD11B1 (0.40) HSD11B1ALDH1A1SMN1; SMN2THRBMGLL
SCHEMBL5501333 0.87 ALDH1A1 (0.40) HSD11B1ALDH1A1
SCHEMBL5507063 0.84 MEN1 (0.39) HSD11B1ALDH1A1SMN1; SMN2SIGMAR1
SCHEMBL5508747 0.83 CHRNB2 (0.40) MGLL
SCHEMBL5504613 0.82 HTR2C (0.39) HSD11B1ALDH1A1SMN1; SMN2THRB
SCHEMBL5503413 0.82 DPP4 (0.36) HSD11B1ALDH1A1THRB
SCHEMBL5503146 0.82 HTR2C (0.38) ALDH1A1MGLL
SCHEMBL5502851 0.79 HSD11B1 (0.53) HSD11B1ALDH1A1SMN1; SMN2HRH3
SCHEMBL5504232 0.78 CTSS (0.36) CCR3MGLL
SCHEMBL5504490 0.78 POLB (0.35) ALDH1A1SMN1; SMN2MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP claimed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO claimed
EP-1807072-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-07-18 EP disclosed
WO-2006049952-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-05-11 WO disclosed