SCHEMBL1662778

SCHEMBL1662778

C(#Cc1ncc(CCN2CCCC2)s1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.51
HRH3 Q9Y5N1 4/20 0.47
LTA4H P09960 2/20 0.43
SLC6A3 Q01959 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
MCHR1 Q99705 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
SCHEMBL1662762 0.90 POLB (0.46) GRM5LTA4HSIGMAR1
SCHEMBL1657728 0.86 GRM5 (0.53) GRM5HRH3LTA4H
SCHEMBL1657724 0.85 GRM5 (0.55) GRM5HRH3
SCHEMBL1659965 0.84 GRM5 (0.50) GRM5HRH3
SCHEMBL1657377 0.78 ALDH1A1 (0.49) GRM5
SCHEMBL1663193 0.77 GRM5 (0.45) GRM5HRH3
SCHEMBL1658169 0.76 SMN1; SMN2 (0.52) GRM5
SCHEMBL1659825 0.75 OGA (0.43) GRM5HRH3
SCHEMBL1658111 0.75 ADORA2A (0.43) GRM5
SCHEMBL1658480 0.74 GRM5 (0.45) 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 disclosed
WO-2011050063-A1 2-SUBSTITUTED-ETHYNYLTHIAZOLE DERIVATIVES AND USES OF SAME H. LUNDBECK A/S (DK) 2011-04-28 WO disclosed