SCHEMBL7848346

SCHEMBL7848346

Cc1cc(CC2(CO)CCN(Cc3cnc(C)n3Cc3ccc(C#N)cc3)CC2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 4/20 0.49
FNTB P49356 4/20 0.49
PGGT1B P53609 4/20 0.49
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.39
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 2/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 2/20 0.38
CYP1A2 P05177 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP3A4 P08684 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL7839572 0.91 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL7838097 0.89 FNTA (0.55) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL7839131 0.88 FNTA (0.51) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL7839865 0.88 FNTA (0.53) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL7856913 0.87 FNTA (0.61) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL7840054 0.87 FNTA (0.49) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL446699 0.87 FNTA (0.53) FNTAFNTBPGGT1BKDM4EPOLB
SCHEMBL29372490 0.86 FNTA (0.48) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL444276 0.86 FNTA (0.48) FNTAFNTBPGGT1BALDH1A1KDM4E
SCHEMBL7839818 0.84 FNTA (0.48) FNTAFNTBPGGT1BALDH1A1POLB

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-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
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed