SCHEMBL7842322

SCHEMBL7842322

Cc1ccc(N2CNC(=O)C23CCN(Cc2cncn2Cc2ccc(C#N)cc2)CC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FNTA P49354 15/20 0.49
FNTB P49356 15/20 0.49
PGGT1B P53609 10/20 0.49
OPRL1 P41146 3/20 0.49
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
NRAS P01111 1/20 0.47
HRAS P01112 1/20 0.47
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46

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
SCHEMBL7848293 0.91 OPRL1 (0.61) FNTAFNTBPGGT1BOPRL1OPRM1
SCHEMBL7839252 0.90 FNTA (0.54) FNTAFNTBPGGT1BOPRL1OPRM1
SCHEMBL7840456 0.78 FNTA (0.56) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7840756 0.77 CYP11B1 (0.53) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL16718978 0.77 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1
SCHEMBL16718977 0.77 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1
SCHEMBL7843370 0.74 FNTA (0.55) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL8894175 0.74 OPRL1 (0.84) OPRL1OPRM1OPRD1OPRK1
SCHEMBL7846905 0.74 OPRL1 (0.84) OPRL1OPRM1OPRD1OPRK1
SCHEMBL7844152 0.73 FNTA (0.56) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP claimed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP claimed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US claimed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO claimed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
US-6172076-B1 HETEROCYCLE-SUBSTITUTED 1,3,8-TRIAZASPIRO(4,5)DECANE DERIVATIVES; TREATING ARTERIOSCLEROSIS MERCK & CO., INC. 2001-01-09 US disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO disclosed