SCHEMBL5325213

SCHEMBL5325213

O=C(O)CCCOc1ccc2c(Cl)c(C(C3=CC=NC3=O)C3CCCCC3)sc2c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.36
PDE3A Q14432 13/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
DYRK1A Q13627 1/20 0.34
PLA2G2A P14555 1/20 0.34
P2RY12 Q9H244 5/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL3743991 0.78 PDE3B (0.39) PDE3BPDE3APTGDR2DYRK1APLA2G2A
SCHEMBL3743985 0.67 HSD11B1 (0.41) PDE3BPDE3APTGDR2DYRK1APLA2G2A
SCHEMBL3744016 0.64 RXRB (0.39) DYRK1AMEN1KMT2A
SCHEMBL3554796 0.60 FFAR4 (0.41) PDE3BPDE3APTGDR2P2RY12MEN1
SCHEMBL4698593 0.60 PDE3B (0.42) PDE3BPDE3APTGDR2P2RY12MEN1
SCHEMBL11720322 0.58 HRH3 (0.57) PTGDR2MEN1KMT2AFFAR4
SCHEMBL11727674 0.58 HRH3 (0.56) PTGDR2MEN1KMT2AFFAR4
SCHEMBL116455 0.57 FFAR4 (0.62) FFAR1FFAR4
SCHEMBL29700092 0.57 FFAR4 (0.62) FFAR1FFAR4
SCHEMBL11724117 0.57 MEN1 (0.53) PTGDR2MEN1KMT2AFFAR1FFAR4

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-1830840-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2007-09-12 EP claimed
WO-2006068991-A1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 ELI LILLY AND COMPANY (US) 2006-06-29 WO claimed