SCHEMBL7515573

SCHEMBL7515573

O=C(c1cn(Cc2cncn2CC2CCNCC2)cc1-c1cccc2ccccc12)N1CCOCC1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 14/20 0.73
FNTB P49356 14/20 0.73
PGGT1B P53609 3/20 0.65
CYP3A4 P08684 1/20 0.55
HTR2C P28335 3/20 0.40
PIK3CD O00329 1/20 0.40
PIK3R2 O00459 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PIK3CG P48736 1/20 0.40
PIK3R5 Q8WYR1 1/20 0.40
PIK3R3 Q92569 1/20 0.40

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
SCHEMBL7504659 0.91 FNTA (0.64) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7503752 0.90 FNTA (0.72) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7505593 0.88 FNTA (0.69) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6927873 0.86 FNTA (0.54) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7509424 0.86 FNTA (0.72) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL27500775 0.85 FNTA (0.84) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL7084114 0.83 FNTA (0.86) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL6978930 0.82 FNTA (1.00) FNTAFNTBPGGT1BCYP3A4HTR2C
SCHEMBL29387865 0.82 FNTA (1.00) FNTAFNTBPGGT1BCYP3A4
SCHEMBL7084213 0.82 FNTA (0.88) FNTAFNTBPGGT1BCYP3A4HTR2C

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