SCHEMBL7535519

SCHEMBL7535519

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.49
DRD2 P14416 1/20 0.49
NAMPT P43490 2/20 0.46
AMPD2 Q01433 1/20 0.44
MAPK14 Q16539 1/20 0.43
CETP P11597 3/20 0.42
POLB P06746 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
NOTUM Q6P988 1/20 0.42
CHRM3 P20309 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
OPRM1 P35372 1/20 0.41
FEN1 P39748 1/20 0.41

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
SCHEMBL7467899 1.00 DRD4 (0.49) DRD4DRD2NAMPTAMPD2MAPK14
SCHEMBL7467893 1.00 DRD4 (0.49) DRD4DRD2NAMPTAMPD2MAPK14
SCHEMBL7533950 0.85 KDM4E (0.50) DRD4POLBOPRM1
SCHEMBL7533954 0.85 KDM4E (0.50) DRD4POLBOPRM1
SCHEMBL8336724 0.81 ACE (0.49) POLBL3MBTL1
SCHEMBL7478005 0.81 ACE (0.49) POLBL3MBTL1
SCHEMBL29870443 0.81 ACE (0.49) POLBL3MBTL1
SCHEMBL7537140 0.79 POLB (0.48) DRD4DRD2POLBL3MBTL1
SCHEMBL7537137 0.79 POLB (0.48) DRD4DRD2POLBL3MBTL1
SCHEMBL7539116 0.79 POLB (0.48) DRD4DRD2POLBL3MBTL1

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