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Sugi Predict / Compounds / SCHEMBL7090518

SCHEMBL7090518

SCHEMBL7090518

N#Cc1ccc(Cn2cncc2CN(C(=O)c2ccc(C#N)cc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1.N#Cc1ccc(Cn2cncc2CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(N3CCN(C(=O)c4ccc(Cl)s4)CC3)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 7/20 0.43
▸ FNTB P49356 7/20 0.43
▸ PGGT1B P53609 1/20 0.39
▸ SLC6A9 P48067 1/20 0.38
▸ SLC6A5 Q9Y345 1/20 0.38

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
SCHEMBL6711243 1.00 FNTA (0.43) FNTAFNTBPGGT1BSLC6A9SLC6A5
SCHEMBL6708741 0.94 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL6708526 0.92 FNTA (0.46) FNTAFNTBPGGT1B
SCHEMBL6708721 0.92 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL6712759 0.91 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL6708705 0.91 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL6711360 0.91 FNTA (0.45) FNTAFNTBPGGT1B
SCHEMBL6708786 0.91 FNTA (0.48) FNTAFNTBPGGT1B
SCHEMBL6709668 0.89 FNTA (0.44) FNTAFNTBPGGT1B
SCHEMBL6711521 0.89 FNTA (0.44) FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 — — EP claimed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 — — WO claimed