SCHEMBL5508747

SCHEMBL5508747

O=C1CCCN1C1CCCC(Cc2ccccc2-c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
HCRTR1 O43613 3/20 0.39
HCRTR2 O43614 3/20 0.39
CYP26A1 O43174 1/20 0.38
HTR2C P28335 2/20 0.37
MGLL Q99685 1/20 0.36
SLC6A2 P23975 3/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
SLC6A3 Q01959 1/20 0.35

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) HCRTR1HCRTR2HTR2CMGLLHTR2A
SCHEMBL5503146 0.83 HTR2C (0.38) HTR2CMGLLHTR2AHTR2B
SCHEMBL5505692 0.83 HSD11B1 (0.40) HCRTR1HCRTR2MGLL
SCHEMBL5504575 0.83 HSD11B1 (0.46) MGLL
SCHEMBL5504232 0.81 CTSS (0.36) HTR2CMGLL
SCHEMBL5504613 0.76 HTR2C (0.39) HTR2CHTR2AHTR2B
SCHEMBL5503413 0.76 DPP4 (0.36)
SCHEMBL5504644 0.75 HRH3 (0.41) HCRTR1HCRTR2
SCHEMBL5499759 0.75 SOS1 (0.35)
SCHEMBL5502844 0.75 PDCD1LG2 (0.35) HCRTR1HCRTR2

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