Sugi Predict

Sugi Predict / Compounds / SCHEMBL21796129

SCHEMBL21796129

SCHEMBL21796129

Cc1cc(C[N+](C)(C)CC(=O)N2CCC(NC(=O)c3c(-c4ccnn4-c4ccc(C#N)cc4)n(C)n(-c4cccc(C(F)(F)F)c4)c3=O)CC2)no1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 19/20 0.44
▸ CCR2 P41597 1/20 0.34

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 SCHEMBL19640046 1.00 ELANE (0.44) ELANECCR2
Hydrochloric Acid SCHEMBL19640022 0.91 ELANE (0.45) ELANE
SCHEMBL21796142 0.91 ELANE (0.45) ELANE
SCHEMBL21796116 0.91 ELANE (0.44) ELANECCR2
Bromide SCHEMBL19639957 0.90 ELANE (0.44) ELANECCR2
SCHEMBL21796114 0.90 ELANE (0.47) ELANECCR2
Benzene SCHEMBL19640002 0.89 ELANE (0.47) ELANECCR2
SCHEMBL19656239 0.86 ELANE (0.48) ELANE
SCHEMBL19656235 0.86 ELANE (0.48) ELANE
SCHEMBL19651226 0.84 ELANE (0.52) ELANE

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
EP-3464268-B1 NOVEL COMPOUNDS CHIESI FARM SPA (IT) 2020-03-11 — — EP claimed