SCHEMBL8005220

SCHEMBL8005220

N#Cc1ccc(Cn2cncc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 0.62
FNTB P49356 18/20 0.62
PGGT1B P53609 13/20 0.62
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
NRAS P01111 1/20 0.53
HRAS P01112 1/20 0.53

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
SCHEMBL7548991 0.79 CYP11B1 (0.64) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7665146 0.79 FNTA (0.73) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7747228 0.78 CYP11B1 (0.62) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL5548038 0.78 FNTA (0.62) FNTAFNTBPGGT1B
SCHEMBL5583298 0.76 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL7743768 0.76 FNTA (0.66) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL7839795 0.76 FNTA (0.59) FNTAFNTBPGGT1BCYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7738189 0.75 FNTA (0.64) FNTAFNTBPGGT1BCYP11B1CYP11B2
SCHEMBL3505604 0.74 FNTA (0.65) FNTAFNTBPGGT1B
SCHEMBL7662196 0.74 FNTA (0.68) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP claimed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO claimed
US-6103487-A DETECTING MODULATORS THAT SUPPRESS THE ACTIVITY OF A TRANSFERASES; ANTICARCINOGENIC AGENTS MERCK & CO., INC. (US) 2000-08-15 US disclosed
EP-1019530-A1 A METHOD OF TREATING CANCER Merck & Co., Inc. (US) 2000-07-19 EP disclosed
WO-2000016626-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-03-30 WO disclosed
WO-1999010524-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 1999-03-04 WO disclosed