SCHEMBL7536221

SCHEMBL7536221

O=C(O)[C@@H]1Cc2ccccc2CN1CCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.51
ACE P12821 8/20 0.50
MMP8 P22894 5/20 0.49
MMP3 P08254 3/20 0.49
MMP13 P45452 1/20 0.48
PREP P48147 1/20 0.47
ABCB11 O95342 1/20 0.46
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL7536224 1.00 GRM2 (0.51) GRM2ACEMMP8MMP3MMP13
SCHEMBL29870443 0.85 ACE (0.49) ACEMMP8MMP3MMP13
SCHEMBL8336724 0.85 ACE (0.49) ACEMMP8MMP3MMP13
SCHEMBL7478005 0.85 ACE (0.49) ACEMMP8MMP3MMP13
SCHEMBL12191655 0.84 ACE (0.51) ACEMMP8MMP3
SCHEMBL7536950 0.81 ACE (0.49) ACEMMP8MMP3
SCHEMBL7536956 0.81 ACE (0.49) ACEMMP8MMP3
SCHEMBL6622698 0.81 NOS1 (0.56) GRM2ACEMMP8MMP3MMP13
SCHEMBL12125023 0.80 ACE (0.53) ACE
SCHEMBL9631439 0.80 ACE (0.50) ACE

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