SCHEMBL7492267

SCHEMBL7492267

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(C(=O)c3cccc4c3OCC4)CC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MGLL Q99685 1/20 0.35
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
PARP1 P09874 1/20 0.34
FNTA P49354 7/20 0.34
FNTB P49356 7/20 0.34
CYP19A1 P11511 2/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
CCR8 P51685 1/20 0.33
GPR6 P46095 1/20 0.32
CPA1 P15085 1/20 0.32
OGA O60502 1/20 0.32
PTGER4 P35408 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
SCHEMBL7483971 0.83 FNTA (0.47) FNTAFNTBCYP19A1
Hydrochloric Acid SCHEMBL7482278 0.82 FNTA (0.47) FNTAFNTBCYP19A1
SCHEMBL7480201 0.81 MAPK14 (0.46) MGLLKCNH2FNTAFNTBCYP19A1
SCHEMBL7483881 0.81 FNTA (0.38) SLC6A2SLC6A4PARP1FNTAFNTB
Hydrochloric Acid SCHEMBL7748868 0.81 FNTA (0.38) SLC6A2SLC6A4PARP1FNTAFNTB
SCHEMBL7480437 0.81 CHRM2 (0.38) FNTAFNTBABCG2
SCHEMBL7156162 0.79 CYP19A1 (0.42) CYP19A1CPA1
SCHEMBL7584664 0.79 FNTA (0.38) SLC6A2SLC6A4FNTAFNTBCYP19A1
SCHEMBL7482744 0.79 FNTA (0.41) HCRTR1HCRTR2SLC6A2SLC6A4FNTA
Hydrochloric Acid SCHEMBL7750453 0.78 FNTA (0.38) SLC6A2SLC6A4FNTAFNTBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002538121-A 2002-11-12 JP claimed
EP-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP claimed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP claimed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO claimed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO., INC. (US) 2000-09-08 WO claimed
EP-1165084-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO INC (US) 2002-05-15 EP disclosed
EP-1165084-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES Merck & Co., Inc. (US) 2002-01-02 EP disclosed
WO-2001022963-A1 METHOD OF PREVENTING OSTEOPOROSIS MERCK & CO., INC. (US) 2001-04-05 WO disclosed
WO-2000051614-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASES MERCK & CO., INC. (US) 2000-09-08 WO disclosed