SCHEMBL5503146

SCHEMBL5503146

O=C1CCCN1C1CCCC(Cc2ccccc2Br)C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.38
SLC6A4 P31645 2/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
RECQL P46063 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
MGLL Q99685 1/20 0.34
P2RX7 Q99572 1/20 0.34
CYP27A1 Q02318 1/20 0.33
CYP24A1 Q07973 1/20 0.33
KDM4E B2RXH2 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32

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
SCHEMBL5508747 0.83 CHRNB2 (0.40) HTR2CHTR2AHTR2BMGLL
SCHEMBL5504575 0.82 HSD11B1 (0.46) ALDH1A1MGLL
SCHEMBL5499746 0.81 DPP4 (0.36) HTR2CHTR2AHTR2BP2RX7
SCHEMBL5500736 0.79 KMT2A (0.35) L3MBTL1P2RX7OPRM1
SCHEMBL5505692 0.78 HSD11B1 (0.40) ALDH1A1MGLL
SCHEMBL5503074 0.77 DPP4 (0.32)
SCHEMBL4069187 0.77 CCRL2 (0.33) P2RX7
SCHEMBL5504232 0.77 CTSS (0.36) HTR2CMGLLP2RX7
SCHEMBL5499828 0.76 DPP4 (0.38) RECQLP2RX7OPRM1
SCHEMBL5503413 0.76 DPP4 (0.36) ALDH1A1L3MBTL1P2RX7OPRM1OPRD1

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