SCHEMBL8149595

SCHEMBL8149595

N#Cc1ccc(C(CCN)n2ccnc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 11/20 0.66
CYP17A1 P05093 9/20 0.48
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44

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
SCHEMBL9784379 0.86 CYP19A1 (0.66) CYP19A1CYP17A1
SCHEMBL8156789 0.86 CYP19A1 (0.66) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL7859488 0.84 CYP19A1 (0.67) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL1507993 0.84 CYP19A1 (0.67) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL1507781 0.83 CYP19A1 (0.66) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL9167130 0.83 CYP19A1 (0.66) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL7855823 0.83 CYP19A1 (0.62) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL1508005 0.82 CYP19A1 (0.69) CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL14415947 0.81 CYP19A1 (0.59) CYP19A1CYP17A1
SCHEMBL7276614 0.81 CYP17A1 (0.61) CYP19A1CYP17A1CYP11B1CYP11B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077853-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-06-20 US disclosed
EP-0951285-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 1999-10-27 EP disclosed
US-5939439-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 1999-08-17 US disclosed
WO-1998029119-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed