SCHEMBL7419987

SCHEMBL7419987

NC(C(=O)C1CC1)c1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
CFTR P13569 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GOPC Q9HD26 1/20 0.41
CYP17A1 P05093 3/20 0.40
CYP19A1 P11511 3/20 0.40
TSHR P16473 2/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 1/20 0.40
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
SARM1 Q6SZW1 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT6 Q8N6T7 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
SCHEMBL70230 0.79 DPP4 (0.45) TSHRHSD17B10CYP3A4ALDH1A1CYP2D6
SCHEMBL11487828 0.79 SMN1; SMN2 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL12861460 0.79 DPP4 (0.45) TSHRHSD17B10CYP3A4ALDH1A1CYP2D6
SCHEMBL17308611 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL11088662 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1354543 0.78 F7 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL1354541 0.78 F7 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL19319049 0.78 TBXAS1 (0.50) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
SCHEMBL2628037 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3644679 0.76 SMN1; SMN2 (0.52) SMN1; SMN2CFTRSLC6A2SLC6A4SLC6A3

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-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed