SCHEMBL5505692

SCHEMBL5505692

O=C1CCCN1C1CCCC(Cc2ccc(-c3ccccc3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
THRB P10828 1/20 0.38
CYP2D6 P10635 1/20 0.38
CCR5 P51681 2/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
MGLL Q99685 1/20 0.37
LTA4H P09960 2/20 0.36
KCNH2 Q12809 1/20 0.36
ACHE P22303 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
SCHEMBL5504575 0.92 HSD11B1 (0.46) HSD11B1ALDH1A1SMN1; SMN2THRBMGLL
SCHEMBL5501333 0.85 ALDH1A1 (0.40) HSD11B1ALDH1A1
SCHEMBL5504232 0.83 CTSS (0.36) MGLL
SCHEMBL5508747 0.83 CHRNB2 (0.40) HCRTR1HCRTR2MGLL
SCHEMBL5507063 0.82 MEN1 (0.39) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL5504490 0.79 POLB (0.35) ALDH1A1SMN1; SMN2HCRTR1HCRTR2MGLL
SCHEMBL5503413 0.78 DPP4 (0.36) HSD11B1ALDH1A1THRBCYP2D6LTA4H
SCHEMBL5503146 0.78 HTR2C (0.38) ALDH1A1MGLL
SCHEMBL5504613 0.76 HTR2C (0.39) HSD11B1ALDH1A1SMN1; SMN2THRBACHE
SCHEMBL5507818 0.75 HCRTR1 (0.39) HSD11B1ALDH1A1THRBHCRTR1HCRTR2

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-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