SCHEMBL6926458

SCHEMBL6926458

Clc1nc2ccsc2c2c1nc(-c1ccccc1)n2CCC1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 3/20 0.41
PDE6D O43924 4/20 0.38
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
KIF11 P52732 2/20 0.37
KDM1A O60341 1/20 0.35
SYK P43405 1/20 0.35
MERTK Q12866 1/20 0.35
TLR7 Q9NYK1 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL7493994 0.88 AVPR2 (0.36) NPY1RPDE6DAVPR2AVPR1AKIF11
SCHEMBL6925914 0.86 NPY1R (0.44) NPY1RPDE6DAVPR2AVPR1AMERTK
Hydrochloric Acid SCHEMBL6923145 0.85 NPY1R (0.43) NPY1RPDE6DAVPR2AVPR1AMERTK
SCHEMBL6930321 0.82 NPY1R (0.43) NPY1RPDE6DAVPR2AVPR1AMERTK
SCHEMBL6927586 0.82 NPY1R (0.39) NPY1RPDE6DAVPR2AVPR1AMERTK
SCHEMBL6928523 0.81 NPY1R (0.42) NPY1RPDE6DAVPR2AVPR1AALDH1A1
SCHEMBL6922923 0.80 NPY1R (0.41) NPY1RPDE6DAVPR2AVPR1AKDM1A
SCHEMBL6929551 0.80 PDE6D (0.41) NPY1RPDE6DAVPR2AVPR1AKDM4E
SCHEMBL6926022 0.79 NPY1R (0.39) NPY1RKIF11MERTKTLR7
SCHEMBL6923151 0.79 ACP1 (0.47) NPY1RPDE6DKDM4EALDH1A1HPGD

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
US-6518265-B1 1H-imidazopyridine derivatives HOKURIKU SEIYAKU CO., LTD. (JP) 2003-02-11 US disclosed
EP-1104764-A1 1H-IMIDAZOPYRIDINE DERIVATIVES HOKURIKU SEIYAKU CO., LTD. (JP) 2001-06-06 EP disclosed