SCHEMBL7515948

SCHEMBL7515948

N#Cc1ccc(CC(c2cnc[nH]2)N2CCN(c3cccc4c3CCCC4)C(=O)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 8/20 0.41
FNTB P49356 8/20 0.41
PGGT1B P53609 3/20 0.35
NRAS P01111 1/20 0.35
HRAS P01112 1/20 0.35
CYP19A1 P11511 4/20 0.34
HRH3 Q9Y5N1 1/20 0.32
FPR1 P21462 2/20 0.32
FPR2 P25090 2/20 0.32
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL7749673 0.87 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL2370713 0.86 FNTA (0.45) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL1683543 0.81 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
Water SCHEMBL7194386 0.81 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7972250 0.81 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7195545 0.80 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7519863 0.80 FNTA (0.43) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7652774 0.80 FNTA (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3500207 0.79 FNTA (0.43) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL3499351 0.79 CYP19A1 (0.41) FNTAFNTBPGGT1BNRASHRAS

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 15 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
US-6387903-B1 ANTICANCER AGENT; CARDIOVASCULAR DISORDERS; VIRICIDES MERCK & CO., INC. 2002-05-14 US disclosed
US-6103487-A DETECTING MODULATORS THAT SUPPRESS THE ACTIVITY OF A TRANSFERASES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 2000-08-15 US disclosed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
EP-1014984-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-07-05 EP disclosed
EP-1009854-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-06-21 EP disclosed
WO-2000016626-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999010523-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed
WO-1999009985-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-03-04 WO disclosed