SCHEMBL7539116

SCHEMBL7539116

O=C(O)[C@@H]1Cc2ccccc2CN1Cc1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
PPARD Q03181 2/20 0.48
PPARA Q07869 2/20 0.48
PPARG P37231 1/20 0.48
SIGMAR1 Q99720 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MMP3 P08254 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
DRD2 P14416 2/20 0.46
DRD3 P35462 1/20 0.46
KCNH2 Q12809 1/20 0.46
DRD4 P21917 1/20 0.44
CFTR P13569 1/20 0.44
ATM Q13315 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
FAAH O00519 1/20 0.43
CASP6 P55212 1/20 0.43

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
SCHEMBL7537140 1.00 POLB (0.48) POLBPPARDPPARAPPARGSIGMAR1
SCHEMBL7537137 1.00 POLB (0.48) POLBPPARDPPARAPPARGSIGMAR1
SCHEMBL8336724 0.89 ACE (0.49) POLBTDP1L3MBTL1MMP3MMP8
SCHEMBL29870443 0.89 ACE (0.49) POLBTDP1L3MBTL1MMP3MMP8
SCHEMBL7478005 0.89 ACE (0.49) POLBTDP1L3MBTL1MMP3MMP8
SCHEMBL7483733 0.89 CYP19A1 (0.44) POLBPPARDPPARAPPARGSIGMAR1
SCHEMBL7483726 0.89 CYP19A1 (0.44) POLBPPARDPPARAPPARGSIGMAR1
SCHEMBL8342126 0.87 MMP8 (0.58) POLBPPARDPPARAPPARGTDP1
SCHEMBL8342131 0.87 MMP8 (0.58) POLBPPARDPPARAPPARGTDP1
SCHEMBL7482114 0.84 HDAC8 (0.54) MMP3MMP8MEN1KMT2ACCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP claimed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP claimed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO claimed
EP-1045844-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-21 EP disclosed
EP-1045844-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-10-25 EP disclosed
US-5932590-A PEPTIDOMIMETIC IMIDAZOLYL-CONTAINING 1,2,3,4-TETRAHYDRO-QUINOLINES OR AN ANALOGOUS 3-BENZAZEPINES; ANTICARCINOGENIC AND-PROLIFERATIVE AGENTS; POLYCYSTIC KIDNEY DISEASE; RESTENOSIS PREVENTION; HEPATITIS; RETINAL VASCULARZATION MERCK & CO., INC. (US) 1999-08-03 US disclosed
WO-1999028314-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-06-10 WO disclosed