Sugi Predict

Sugi Predict / Compounds / SCHEMBL3675210

SCHEMBL3675210

SCHEMBL3675210

NC(=O)c1cccnc1OC1CCCOC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 17/20 0.47
▸ GRM4 Q14833 1/20 0.44
▸ RAB9A P51151 1/20 0.43
▸ GRM5 P41594 1/20 0.43

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
SCHEMBL3673425 0.92 GRM4 (0.50) ROCK2GRM4RAB9A
SCHEMBL23458839 0.84 ROCK2 (0.53) ROCK2RAB9A
SCHEMBL2408814 0.80 GRM4 (0.47) GRM4GRM5
SCHEMBL19172439 0.80 GRM4 (0.47) GRM4GRM5
SCHEMBL2408815 0.80 GRM4 (0.47) GRM4GRM5
SCHEMBL12319245 0.80 GRM4 (0.44) GRM4GRM5
SCHEMBL20646781 0.78 RAB9A (0.48) ROCK2RAB9A
SCHEMBL20646783 0.78 RAB9A (0.48) ROCK2RAB9A
SCHEMBL15468353 0.78 LRRK2 (0.47) GRM4GRM5
SCHEMBL14334255 0.78 IRAK4 (0.58) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2158198-A2 NOVEL N- (8HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN AstraZeneca AB (SE) 2010-03-03 — — EP disclosed
WO-2008130320-A2 NOVEL N- (8-HETEROARYLTETRAHYDRONAPHTALENE-2YL) OR N- (5- HETEROARYLCHROMANE-3-YL) CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 — — WO disclosed