SCHEMBL7460780

SCHEMBL7460780

COc1cc(Cc2c[nH]c(CN3CCN(c4cccc(OC(F)(F)F)c4)C(=O)C3)n2)ccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.45
PGGT1B P53609 14/20 0.45
FNTB P49356 13/20 0.45
KCNH2 Q12809 4/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
NRAS P01111 1/20 0.36
HRAS P01112 1/20 0.36
KCNJ1 P48048 2/20 0.36

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
SCHEMBL3502102 0.94 FNTA (0.45) FNTAPGGT1BFNTBKCNH2DRD2
SCHEMBL3518400 0.84 FNTA (0.47) FNTAPGGT1BFNTBKCNH2DRD2
SCHEMBL7665099 0.80 FNTA (0.52) FNTAPGGT1BFNTBKCNH2NRAS
SCHEMBL3501573 0.80 FNTA (0.70) FNTAPGGT1BFNTBNRASHRAS
Hydrochloric Acid SCHEMBL8088734 0.80 FNTA (0.51) FNTAPGGT1BFNTBKCNH2NRAS
SCHEMBL3502103 0.80 FNTA (0.45) FNTAPGGT1BFNTBKCNH2DRD2
Hydrochloric Acid SCHEMBL7192628 0.79 FNTA (0.70) FNTAPGGT1BFNTBNRASHRAS
SCHEMBL7665102 0.75 FNTA (0.39) FNTAPGGT1BFNTBKCNH2DRD2
SCHEMBL5547981 0.75 FNTA (0.40) FNTAPGGT1BFNTBKCNH2DRD2
Hydrochloric Acid SCHEMBL7657378 0.74 FNTA (0.72) FNTAPGGT1BFNTBNRASHRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP claimed
JP-2001518281-A 2001-10-16 JP claimed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP claimed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
EP-1019529-A4 A METHOD OF TREATING CANCER MERCK & CO INC (US) 2002-09-11 EP disclosed
EP-1019529-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
WO-2000016626-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-1999010525-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed