SCHEMBL7843579

SCHEMBL7843579

Cc1cccc(CC2(C#N)CCN(Cc3cnc(C)n3Cc3ccc(C#N)cc3)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FNTA P49354 5/20 0.53
FNTB P49356 5/20 0.53
PGGT1B P53609 5/20 0.53
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
USP2 O75604 3/20 0.38
MCHR1 Q99705 1/20 0.37
TSHR P16473 3/20 0.37
CYP2C9 P11712 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 2/20 0.36
ALDH1A1 P00352 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL7830252 0.92 FNTA (0.54) FNTAFNTBPGGT1BUSP2TSHR
SCHEMBL7839865 0.88 FNTA (0.53) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL7840536 0.86 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7830778 0.84 FNTA (0.63) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7838097 0.82 FNTA (0.55) FNTAFNTBPGGT1BMEN1KMT2A
Trifluoroacetic Acid SCHEMBL7841379 0.81 FNTA (0.53) FNTAFNTBPGGT1BUSP2TSHR
SCHEMBL7840048 0.80 FNTA (0.56) FNTAFNTBPGGT1BUSP2MEN1
SCHEMBL7960947 0.80 FNTA (0.56) FNTAFNTBPGGT1BUSP2TSHR
SCHEMBL446699 0.80 FNTA (0.53) FNTAFNTBPGGT1BMEN1KMT2A
SCHEMBL7839131 0.79 FNTA (0.51) FNTAFNTBPGGT1BUSP2TSHR

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 5 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
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO disclosed