SCHEMBL1665714

SCHEMBL1665714

O=C(c1cnc(C#Cc2ccccc2)s1)N1CC2C[N]CC2C1

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 19/20 0.67
CHRNA4 P43681 1/20 0.40

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
SCHEMBL1657393 0.88 GRM5 (0.71) GRM5CHRNA4
SCHEMBL1657952 0.88 GRM5 (0.71) GRM5CHRNA4
SCHEMBL1658764 0.87 GRM5 (0.66) GRM5CHRNA4
SCHEMBL1657740 0.87 GRM5 (0.66) GRM5CHRNA4
SCHEMBL1658048 0.87 GRM5 (0.66) GRM5CHRNA4
SCHEMBL1659776 0.87 GRM5 (0.72) GRM5
SCHEMBL1657241 0.83 GRM5 (0.66) GRM5
SCHEMBL1657722 0.82 GRM5 (0.59) GRM5
SCHEMBL1658399 0.82 GRM5 (0.75) GRM5
SCHEMBL1657521 0.82 GRM5 (0.97) GRM5

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 claimed
WO-2011050063-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 WO claimed