SCHEMBL7633458

SCHEMBL7633458

C[C@H]1C(=O)Nc2cccc3ccc(cc23)Oc2cc(ccc2C#N)Cn2cncc2CN1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FNTA P49354 19/20 1.00
FNTB P49356 19/20 1.00
PGGT1B P53609 16/20 1.00
KCNH2 Q12809 1/20 0.65
CYP3A4 P08684 1/20 0.65

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
SCHEMBL7628449 1.00 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL7636420 0.94 FNTA (0.88) FNTAFNTBPGGT1BKCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL7635883 0.94 FNTA (0.88) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7634425 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7633566 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7632500 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7626894 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7637093 0.87 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7630518 0.87 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL7635110 0.85 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4

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
US-6410534-B1 ANTICANCER AGENTS MERCK & CO., INC. 2002-06-25 US disclosed