SCHEMBL8425904

SCHEMBL8425904

N#Cc1ccc(Cn2cncc2CCNC(=O)C2CCCN(C(=O)N(c3ccccc3)c3ccccc3)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FNTA P49354 17/20 0.51
FNTB P49356 17/20 0.51
PGGT1B P53609 15/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
KCNH2 Q12809 2/20 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
SCHEMBL8088399 1.00 FNTA (0.51) FNTAFNTBPGGT1BNPC1ALDH1A1
SCHEMBL8103727 0.88 FNTA (0.55) FNTAFNTBPGGT1BNPC1ALDH1A1
SCHEMBL8441677 0.88 FNTA (0.55) FNTAFNTBPGGT1BNPC1ALDH1A1
SCHEMBL8417257 0.87 FNTA (0.52) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL8104348 0.87 FNTA (0.52) FNTAFNTBPGGT1BRAB9ACYP11B1
SCHEMBL8095922 0.86 FNTA (0.51) FNTAFNTBPGGT1BNPC1ALDH1A1
SCHEMBL8444500 0.86 FNTA (0.51) FNTAFNTBPGGT1BNPC1ALDH1A1
SCHEMBL8095394 0.86 FNTA (0.60) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8097937 0.85 FNTA (0.58) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL8440130 0.85 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 7 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
EP-0862435-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 1999-02-03 EP disclosed
US-5817678-A IMIDAZOLE-CONTAINING PIPERIDINE DERIVATIVES, PEPTIDEMIMETIC MERCK & CO., INC. (US) 1998-10-06 US disclosed
EP-0862435-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1998-09-09 EP disclosed
WO-1997018813-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1997-05-29 WO disclosed