Sugi Predict

Sugi Predict / Compounds / SCHEMBL1663193

SCHEMBL1663193

SCHEMBL1663193

OCCc1cnc(C#Cc2ccccc2)s1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.45
▸ FFAR1 O14842 4/20 0.39
▸ FFAR4 Q5NUL3 2/20 0.38
▸ APP P05067 1/20 0.38
▸ CYP2D6 P10635 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ FDPS P14324 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL1663726 0.87 GRM5 (0.47) GRM5FFAR1FFAR4APPEGLN1
SCHEMBL1662778 0.77 GRM5 (0.51) GRM5HRH3
SCHEMBL1657995 0.77 GRM5 (0.45) GRM5APPCYP2D6
SCHEMBL1663205 0.77 GRM5 (0.44) GRM5FFAR1FFAR4APPEGLN1
SCHEMBL15226559 0.77 KMT2A (0.43) GRM5FFAR1APPCYP2D6
SCHEMBL1662762 0.76 POLB (0.46) GRM5
SCHEMBL1658030 0.75 GRM5 (0.40) GRM5APP
SCHEMBL1659965 0.74 GRM5 (0.50) GRM5HRH3
SCHEMBL1657728 0.74 GRM5 (0.53) GRM5HRH3
SCHEMBL1657724 0.73 GRM5 (0.55) GRM5HRH3

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-2490541-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. Lundbeck A/S (DK) 2012-08-29 — — EP disclosed
WO-2011050063-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 — — WO disclosed