SCHEMBL6180571

SCHEMBL6180571

c1ccc(CCNCCc2c[nH]cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.50
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.46
KCNH2 Q12809 2/20 0.45
EPHX2 P34913 1/20 0.44
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 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
SCHEMBL4605920 0.89 GAA (0.53) SIGMAR1GAAMAPTEPHX2
SCHEMBL10478067 0.89 EPHX2 (0.54) SIGMAR1GAAMAPTKCNH2EPHX2
SCHEMBL31364605 0.86 ALDH1A1 (0.31)
SCHEMBL31364603 0.86 ALDH1A1 (0.31)
SCHEMBL1753940 0.84 KCNH2 (0.50) KCNH2
SCHEMBL8617900 0.83 RAB9A (0.43) GAACA12CA1CA2
SCHEMBL10743482 0.81 HTR2A (0.42) SIGMAR1KCNH2
SCHEMBL4390050 0.79 HRH3 (0.45) SIGMAR1MAPT
SCHEMBL11475089 0.79 CHRM2 (0.54) SIGMAR1
SCHEMBL27516300 0.78 L3MBTL1 (0.45) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140909-B1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORP (US) 2005-07-06 EP disclosed
US-6432959-B1 ANTITUMOR AGENTS SCHERING CORPORATION 2002-08-13 US disclosed
EP-1140909-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2001-10-10 EP disclosed
WO-2000039119-A1 NOVEL INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE SCHERING CORPORATION (US) 2000-07-06 WO disclosed