SCHEMBL7936033

SCHEMBL7936033

N#Cc1ccc(Cc2ncc(CNCCCCC3CCN(Cc4ccccc4)C3=O)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.48
FNTA P49354 19/20 0.46
FNTB P49356 19/20 0.46
PGGT1B P53609 15/20 0.46
CYP3A4 P08684 1/20 0.40

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
SCHEMBL7927442 0.98 FNTA (0.46) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7939463 0.86 KCNH2 (0.38) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL7937509 0.80 FNTA (0.69) KCNH2FNTAFNTBPGGT1BCYP3A4
Hydrochloric Acid SCHEMBL7939633 0.79 FNTA (0.68) KCNH2FNTAFNTBPGGT1BCYP3A4
Hydrochloric Acid SCHEMBL7939637 0.79 FNTA (0.68) KCNH2FNTAFNTBPGGT1BCYP3A4
SCHEMBL8298317 0.78 BRS3 (0.48)
SCHEMBL7464954 0.77 FNTA (0.45) KCNH2FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL8304229 0.77 BRS3 (0.47)
SCHEMBL7936234 0.76 FNTA (0.64) KCNH2FNTAFNTBPGGT1B
SCHEMBL7689560 0.73 FNTA (0.59) KCNH2FNTAFNTBPGGT1BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001017992-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-03-15 WO disclosed