SCHEMBL7488286

SCHEMBL7488286

Nc1ccc(-c2cccc(Cl)c2)cc1CC=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.47
PGR P06401 5/20 0.47
DCLRE1B Q9H816 1/20 0.44
MAOB P27338 2/20 0.44
ALOX5 P09917 1/20 0.41
BACE1 P56817 2/20 0.41
JAK2 O60674 1/20 0.40
MAP4K4 O95819 4/20 0.39
ESR2 Q92731 1/20 0.38

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
SCHEMBL4647358 0.81 CYP3A4 (0.46)
SCHEMBL7493782 0.81 TAAR1 (0.50) TAAR1PGRDCLRE1BMAP4K4ESR2
SCHEMBL7129647 0.79 TAAR1 (0.42) TAAR1PGRDCLRE1BMAOBALOX5
SCHEMBL19287148 0.78 TAAR1 (0.65) TAAR1PGRDCLRE1BMAOBALOX5
SCHEMBL7496853 0.76 PGR (0.55) TAAR1PGRDCLRE1BMAOBALOX5
SCHEMBL21533127 0.76 GRIA1 (0.41)
SCHEMBL1515774 0.74 CHRM1 (0.46) TAAR1DCLRE1BMAOB
SCHEMBL7492226 0.74 PGR (0.52) TAAR1PGRDCLRE1BMAOBALOX5
SCHEMBL14392292 0.72 BACE1 (0.51) TAAR1PGRMAOBALOX5BACE1
SCHEMBL7969111 0.72 CYP3A4 (0.68) TAAR1PGRMAOBALOX5BACE1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1175411-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-30 EP disclosed
EP-1175404-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-30 EP disclosed
EP-1173206-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING QUINAZOLINONE AND BENZOXAZINE DERIVATIVES American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173210-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC American Home Products Corporation (US) 2002-01-23 EP disclosed
EP-1173426-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS American Home Products Corporation (US) 2002-01-23 EP disclosed
WO-2000066560-A1 QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066165-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING QUINAZOLINONE AND BENZOXAZINE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066570-A1 CYCLOTHIOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066164-A1 CONTRACEPTIVE COMPOSITIONS CONTAINING ANTIPROGESTINIC AND PROGESTINIC AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed
WO-2000066571-A1 CYCLOCARBAMATE DERIVATIVES AS PROGESTERONE RECEPTOR MODULATORS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-09 WO disclosed