SCHEMBL6986083

SCHEMBL6986083

N#Cc1ccc(Cn2cncc2CN(C#N)C(=O)c2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 5/20 0.57
CYP11B2 P19099 5/20 0.57
FNTA P49354 9/20 0.53
FNTB P49356 9/20 0.53
PGGT1B P53609 5/20 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
SCHEMBL6985868 0.79 CYP11B1 (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL6986017 0.77 CYP11B1 (0.56) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7255356 0.77 FNTA (0.49) FNTAFNTBPGGT1B
SCHEMBL6710999 0.77 MAPKAPK2 (0.55)
SCHEMBL2786255 0.77 CYP11B1 (0.71) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7256035 0.76 FNTA (0.51) CYP11B1CYP11B2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8481395 0.76 CYP11B1 (0.69) CYP11B1CYP11B2FNTAFNTBPGGT1B
Bromide SCHEMBL7927507 0.76 CYP11B1 (0.69) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL8506339 0.76 FNTA (0.61) CYP11B1CYP11B2FNTAFNTBPGGT1B
SCHEMBL7461591 0.75 FNTA (0.68) CYP11B1CYP11B2FNTAFNTBPGGT1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324999-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2003-07-09 EP disclosed
WO-2002030927-A1 NOVEL AMINOPHENYL PIPERAZINE OR AMINOPHENYL PIPERIDINE DERIVATIVES INHIBITING PRENYL TRANSFERASE PROTEINS AND METHODS FOR PREPARING SAME PIERRE FABRE MEDICAMENT (FR) 2002-04-18 WO disclosed