SCHEMBL7974242

SCHEMBL7974242

N#Cc1ccc(Cc2cncn2CC2CCN(C(=O)c3ccccc3Cl)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.63
FNTB P49356 18/20 0.63
PGGT1B P53609 9/20 0.63
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
MAPK14 Q16539 1/20 0.48
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL7972916 0.99 FNTA (0.62) FNTAFNTBPGGT1BCYP2C9CYP2C19
SCHEMBL7831743 0.84 FNTA (0.64) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7972613 0.83 FNTA (0.64) FNTAFNTBPGGT1BKCNH2
SCHEMBL7974315 0.78 GPR119 (0.48) FNTAFNTBPGGT1B
SCHEMBL7844153 0.78 FNTA (0.48) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7847986 0.77 FNTA (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL7832408 0.76 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
Hydrochloric Acid SCHEMBL7970645 0.76 FNTA (0.47) FNTAFNTBPGGT1BKCNH2
SCHEMBL7838564 0.75 CYP11B1 (0.48) FNTAFNTBPGGT1BKCNH2
SCHEMBL7839628 0.75 FNTA (0.45) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US claimed
US-6248756-B1 Inhibitors of farnesyl-protein transferase MERCK & CO., INC. 2001-06-19 US disclosed
US-5891889-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-04-06 US disclosed