SCHEMBL7831989

SCHEMBL7831989

CCCCN1CC2(CCN(Cc3cncn3Cc3ccc(C#N)cc3)CC2)OC1=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.47
FNTB P49356 18/20 0.47
PGGT1B P53609 8/20 0.47
KCNH2 Q12809 1/20 0.46
NRAS P01111 1/20 0.45
HRAS P01112 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
Hydrochloric Acid SCHEMBL7856950 0.99 FNTA (0.47) FNTAFNTBPGGT1BKCNH2NRAS
SCHEMBL7841098 0.85 FNTA (0.49) FNTAFNTBPGGT1BNRASHRAS
Hydrochloric Acid SCHEMBL7992200 0.85 FNTA (0.48) FNTAFNTBPGGT1BNRASHRAS
SCHEMBL7833379 0.79 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL7839464 0.78 FNTA (0.62) FNTAFNTBPGGT1BKCNH2NRAS
Hydrochloric Acid SCHEMBL7977774 0.78 FNTA (0.61) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7844275 0.78 FNTA (0.61) FNTAFNTBPGGT1BKCNH2NRAS
SCHEMBL11367275 0.74 SIGMAR1 (0.50) KCNH2
SCHEMBL7683462 0.72 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7682385 0.71 FNTA (0.61) FNTAFNTBPGGT1BCYP11B1CYP11B2

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-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