SCHEMBL5504883

SCHEMBL5504883

O=C1CCCN1C1CCCC(Cc2c(Cl)ccc(-c3cccnc3)c2Cl)C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
LDHA P00338 1/20 0.34
CYP11B1 P15538 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP19A1 P11511 1/20 0.33
PDCD1LG2 Q9BQ51 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
DHPS P49366 4/20 0.33
GBA1 P04062 1/20 0.33
CYP17A1 P05093 1/20 0.32
F9 P00740 1/20 0.32
F11 P03951 1/20 0.32
KLKB1 P03952 1/20 0.32
RORC P51449 1/20 0.32
CCR5 P51681 1/20 0.32
GRM5 P41594 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
Hydrochloric Acid SCHEMBL5503796 0.99 CYP11B2 (0.34) CYP11B2CNR1CNR2LDHACYP11B1
SCHEMBL5503476 0.89 PDCD1LG2 (0.32) CNR2LDHAPDCD1LG2CD274
Hydrochloric Acid SCHEMBL5505492 0.88 PDCD1LG2 (0.31) LDHAPDCD1LG2CD274
SCHEMBL5504107 0.86 CYP11B2 (0.41) CYP11B2CNR1CYP11B1KDM4ECCR5
Hydrochloric Acid SCHEMBL5504176 0.85 CYP11B2 (0.40) CYP11B2CNR1CYP11B1KDM4ECCR5
SCHEMBL5506971 0.85 CNR2 (0.32) CNR2PDCD1LG2CD274
SCHEMBL5504170 0.84 CNR1 (0.36) CYP11B2CNR1CYP11B1KDM4EPDCD1LG2
Hydrochloric Acid SCHEMBL5499839 0.83 CNR1 (0.36) CYP11B2CNR1CYP11B1KDM4EPDCD1LG2
SCHEMBL5504207 0.82 MEN1 (0.33) PDCD1LG2CD274
SCHEMBL5499996 0.81 CNR1 (0.38) CYP11B2CNR1CYP11B1KDM4ECYP19A1

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