SCHEMBL7838564

SCHEMBL7838564

N#Cc1ccc(Cc2cncn2CC2CCNCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.48
CYP11B2 P19099 7/20 0.48
KDM1A O60341 9/20 0.44
CYP19A1 P11511 1/20 0.44
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL7844153 0.82 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7847986 0.81 FNTA (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7839628 0.79 FNTA (0.45) CYP11B1CYP11B2CYP19A1FNTAFNTB
Hydrochloric Acid SCHEMBL7974608 0.78 FNTA (0.45) CYP11B1CYP11B2CYP19A1FNTAFNTB
SCHEMBL7974315 0.77 GPR119 (0.48) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7840789 0.77 KCNH2 (0.56) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7972342 0.76 KCNH2 (0.55) FNTAFNTBPGGT1BKCNH2
SCHEMBL7974242 0.75 FNTA (0.63) FNTAFNTBPGGT1BKCNH2
SCHEMBL8420978 0.75 FNTA (0.56) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7972916 0.74 FNTA (0.62) FNTAFNTBPGGT1BKCNH2

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 9 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 claimed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US claimed
EP-0944388-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-09-29 EP claimed
WO-1997038665-A2 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-10-23 WO claimed
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