SCHEMBL5503554

SCHEMBL5503554

Cc1cc(OCCCN(C)C)ccc1-c1ccc(CC2CCCC(N3CCCC3=O)C2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
ATM Q13315 6/20 0.34
PIK3CA P42336 5/20 0.34
MTOR P42345 3/20 0.34
UTS2R Q9UKP6 2/20 0.33
ESR1 P03372 1/20 0.33
PRKDC P78527 1/20 0.33
FFAR1 O14842 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH3 Q9Y5N1 4/20 0.32
ATR Q13535 1/20 0.32
SCN9A Q15858 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
SCHEMBL5500808 0.96 ESR1 (0.37) PARP1PIK3CAESR1PRKDCFFAR1
SCHEMBL5500516 0.91 ATM (0.41) PARP1ATMPIK3CAUTS2RESR1
Hydrochloric Acid SCHEMBL5499707 0.90 ATM (0.40) PARP1ATMPIK3CAUTS2RESR1
SCHEMBL5503919 0.87 HTR1A (0.37) FFAR1HRH3SCN9A
SCHEMBL5503492 0.86 ESR1 (0.43) PARP1ATMPIK3CAESR1PRKDC
Hydrochloric Acid SCHEMBL5500694 0.86 ESR1 (0.42) PARP1ATMPIK3CAESR1PRKDC
Hydrochloric Acid SCHEMBL5500185 0.84 SSTR2 (0.36)
SCHEMBL5499853 0.82 SCN9A (0.37) ESR1SCN9A
SCHEMBL3543241 0.80 HSD11B1 (0.38) ATMPIK3CAMTORUTS2RESR1
Hydrochloric Acid SCHEMBL5243121 0.77 PARP1 (0.35) PARP1ATMUTS2RMEN1KMT2A

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