Sugi Predict

Sugi Predict / Compounds / SCHEMBL7936005

SCHEMBL7936005

SCHEMBL7936005

Cc1ncc(N(C)[C@@H]2CCN(C(=O)OCc3ccccc3OC(F)(F)F)C2)n1Cc1ccc(C#N)cc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FNTA P49354 16/20 0.68
▸ FNTB P49356 16/20 0.68
▸ PGGT1B P53609 16/20 0.68
▸ CHRM4 P08173 1/20 0.37
▸ CYP2C9 P11712 2/20 0.36
▸ PGR P06401 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ CYP2J2 P51589 1/20 0.36

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 SCHEMBL7936099 0.99 FNTA (0.67) FNTAFNTBPGGT1BCHRM4CYP2C9
SCHEMBL7936009 0.83 FNTA (0.72) FNTAFNTBPGGT1B
SCHEMBL7936002 0.83 FNTA (0.72) FNTAFNTBPGGT1B
Hydrochloric Acid SCHEMBL7936095 0.83 FNTA (0.72) FNTAFNTBPGGT1B
SCHEMBL7650227 0.81 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL7655474 0.72 FNTA (0.83) FNTAFNTBPGGT1B
SCHEMBL7465329 0.72 FNTA (0.81) FNTAFNTBPGGT1B
SCHEMBL7528336 0.71 FNTA (1.00) FNTAFNTBPGGT1B
SCHEMBL7464345 0.71 FNTA (0.81) FNTAFNTBPGGT1B
SCHEMBL7650231 0.69 FNTA (0.60) FNTAFNTBPGGT1BCYP2D6

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