SCHEMBL7637486

SCHEMBL7637486

C[C@@H]1NCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N(C)C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FNTA P49354 18/20 1.00
FNTB P49356 18/20 1.00
PGGT1B P53609 17/20 1.00
KCNH2 Q12809 9/20 0.74
CYP3A4 P08684 3/20 0.74
DNAJA1 P31689 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
Hydrochloric Acid SCHEMBL7631081 0.99 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7635628 0.99 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7631178 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7635110 0.88 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7638222 0.87 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7630533 0.87 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7632500 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7626894 0.86 FNTA (1.00) FNTAFNTBPGGT1BKCNH2CYP3A4
Hydrochloric Acid SCHEMBL7637093 0.85 FNTA (0.98) FNTAFNTBPGGT1BKCNH2CYP3A4
SCHEMBL7628432 0.84 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