Sugi Predict

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Acetonitrile

Acetonitrile

SCHEMBL8772732

CC#N.CCCN(C(=O)C(F)(F)F)c1ccc(C#CC2(O)CN3CCC2CC3)cc1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ FDFT1 P37268 1/20 0.51
▸ MMP13 P45452 18/20 0.49
▸ MMP2 P08253 6/20 0.46
▸ MMP12 P39900 1/20 0.42

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
SCHEMBL8772688 0.96 FDFT1 (0.54) FDFT1MMP13MMP2MMP12
SCHEMBL8772607 0.69 MMP13 (0.64) FDFT1MMP13MMP2MMP12
SCHEMBL8772636 0.69 MMP13 (0.90) FDFT1MMP13MMP2MMP12
SCHEMBL8772700 0.69 MMP13 (0.86) FDFT1MMP13MMP2MMP12
Hydrochloric Acid SCHEMBL8772652 0.69 MMP13 (0.62) FDFT1MMP13MMP2MMP12
SCHEMBL8772564 0.68 MMP13 (0.61) FDFT1MMP13MMP2MMP12
SCHEMBL8969791 0.67 FDFT1 (0.64) FDFT1MMP13MMP2
SCHEMBL8772621 0.67 MMP13 (0.60) FDFT1MMP13MMP2MMP12
SCHEMBL8931458 0.67 MMP13 (0.59) FDFT1MMP13MMP2MMP12
SCHEMBL8709394 0.65 MMP13 (0.58) FDFT1MMP13MMP2MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0654032-B1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LTD (GB) 1997-10-15 — — EP disclosed
EP-0654032-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS. ZENECA LTD (GB) 1995-05-24 — — EP disclosed
WO-1994003451-A1 QUINUCLIDINE DERIVATIVES AS SQUALENE SYNTHASE INHIBITORS ZENECA LIMITED (GB) 1994-02-17 — — WO disclosed