SCHEMBL8098229

SCHEMBL8098229

N#Cc1ccc(Cn2cncc2CCNC(=O)[C@H]2CCCN(C(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 16/20 0.53
FNTB P49356 16/20 0.53
PGGT1B P53609 15/20 0.53
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
KCNH2 Q12809 1/20 0.46
GPBAR1 Q8TDU6 1/20 0.45

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
SCHEMBL8427986 1.00 FNTA (0.53) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097922 0.92 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8444169 0.92 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL446562 0.88 FNTA (0.54) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095922 0.88 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8444500 0.88 FNTA (0.51) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8436851 0.88 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8104358 0.88 FNTA (0.50) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8095394 0.87 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097937 0.86 FNTA (0.58) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP claimed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP claimed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO claimed
US-6127366-A ANTICARCINOGENIC OR ANTITUMOR AGENTS MERCK & CO., INC. (US) 2000-10-03 US disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed