SCHEMBL7837848

SCHEMBL7837848

NC(c1ccncc1)C1CCN(c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 2/20 0.47
DPP4 P27487 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 2/20 0.44
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.41
CHKA P35790 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40
EED O75530 1/20 0.40
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL20206415 0.78 GAA (0.39) AKT2GAAGSK3BHRH3
SCHEMBL9027649 0.75 L3MBTL1 (0.50) DPP4MBTD1L3MBTL3L3MBTL1KDM4E
SCHEMBL5435712 0.74 AKT2 (0.39) AKT2MAPTNPSR1LMNACYP3A4
Hydrochloric Acid SCHEMBL28444516 0.74 L3MBTL1 (0.49) DPP4MBTD1L3MBTL3L3MBTL1KDM4E
SCHEMBL25586018 0.72 IDO1 (0.50) MAPTNPSR1KDM4EGAALMNA
SCHEMBL10621170 0.72 HTR2A (0.56) MBTD1L3MBTL3L3MBTL1KDM4EIDO1
SCHEMBL18590696 0.72 CHKA (0.67) MAPTCHKANPSR1KDM4EGAA
SCHEMBL27455613 0.72 L3MBTL1 (0.50) MBTD1L3MBTL3L3MBTL1KDM4ELMNA
Hydrochloric Acid SCHEMBL2309178 0.70 IDO1 (0.50) AKT2DPP4IDO1CYP3A4
SCHEMBL2554948 0.70 OPRM1 (0.53) AKT2KDM4ECYP3A4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944388-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-08-16 EP disclosed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed