SCHEMBL7512901

SCHEMBL7512901

COCCN(C)C(=O)c1cn(C(CC2CCNCC2)c2cnc[nH]2)cc1-c1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.45
FNTB P49356 15/20 0.45
PGGT1B P53609 1/20 0.45
HTR2C P28335 1/20 0.40
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
MAPK14 Q16539 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL7503289 0.91 FNTA (0.44) FNTAFNTBPGGT1BHTR2C
SCHEMBL7508235 0.90 FNTA (0.43) FNTAFNTBPGGT1BHTR2CMAPK14
SCHEMBL7508968 0.90 FNTA (0.43) FNTAFNTBPGGT1BHTR2C
SCHEMBL7510202 0.90 FNTA (0.43) FNTAFNTBPGGT1BHTR2CKDM4E
SCHEMBL7087759 0.88 FNTA (0.40) FNTAFNTBPGGT1BHTR2CADRA2A
SCHEMBL7512891 0.88 FNTA (0.40) FNTAFNTBPGGT1BHTR2CKDM4E
SCHEMBL7509342 0.87 FNTA (0.42) FNTAFNTBPGGT1BHTR2CKDM4E
SCHEMBL7508735 0.87 FNTA (0.42) FNTAFNTBPGGT1BHTR2C
SCHEMBL7553094 0.87 FNTA (0.43) FNTAFNTBPGGT1BHTR2C
SCHEMBL7508123 0.87 FNTA (0.42) FNTAFNTBPGGT1BHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058683-B1 FARNESYL TRANSFERASE INHIBITORS HAVING A PIPERIDINE STRUCTURE AND PROCESS FOR PREPARATION THEREOF LG CHEMICAL LTD (KR) 2002-12-04 EP claimed