SCHEMBL5504613

SCHEMBL5504613

O=C1CCCN1C1CCCC(Cc2c(Cl)cccc2Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.39
HTR2A P28223 3/20 0.39
HTR2B P41595 3/20 0.39
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ATM Q13315 1/20 0.37
OPRL1 P41146 1/20 0.35
HSD11B1 P28845 1/20 0.34
POLB P06746 2/20 0.34
P2RX7 Q99572 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
ACHE P22303 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL5504490 0.84 POLB (0.35) HTR2CHTR2AHTR2BALDH1A1SMN1; SMN2
SCHEMBL5504616 0.83 LMNA (0.44) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL5499746 0.83 DPP4 (0.36) HTR2CHTR2AHTR2BPOLBP2RX7
SCHEMBL5499906 0.83 LMNA (0.44) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL5504575 0.82 HSD11B1 (0.46) ALDH1A1SMN1; SMN2HSD11B1THRB
SCHEMBL5503413 0.82 DPP4 (0.36) ALDH1A1HSD11B1P2RX7DPP4DPP8
SCHEMBL5503369 0.80 LMNA (0.43) ALDH1A1SMN1; SMN2POLBP2RX7MEN1
SCHEMBL5504207 0.78 MEN1 (0.33) HTR2CHTR2AHTR2BPOLBP2RX7
SCHEMBL5499740 0.77 DPP4 (0.36) OPRL1POLBMEN1KMT2ADPP4
SCHEMBL5503074 0.77 DPP4 (0.32) POLBMEN1KMT2ADPP4DPP8

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