SCHEMBL7378265

SCHEMBL7378265

CCCc1csc(-c2nc3n(c2-c2ccncc2)CCC3)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.45
TGFBR1 P36897 3/20 0.40
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA5 P31644 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRA6 Q16445 1/20 0.34
SMN1; SMN2 Q16637 5/20 0.33
NPC1 O15118 4/20 0.33
RAB9A P51151 4/20 0.33
KDM4E B2RXH2 4/20 0.33
TP53 P04637 2/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HSD17B10 Q99714 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 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
SCHEMBL7376928 0.91 PDE10A (0.46) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL9700065 0.86 PDE10A (0.44) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL9698911 0.84 PDE10A (0.41) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL7352500 0.82 PDE10A (0.51) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL9198832 0.82 PDE10A (0.42) PDE10ATGFBR1SMN1; SMN2NPC1RAB9A
SCHEMBL7378903 0.81 PDE10A (0.41) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL9700106 0.79 PDE10A (0.47) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL9198377 0.78 PDE10A (0.45) PDE10ATGFBR1GABRA1GABRG2GABRB3
SCHEMBL9698891 0.77 POLB (0.44) PDE10ATGFBR1NPC1RAB9AKDM4E
SCHEMBL9204502 0.75 PDE10A (0.43) PDE10ATGFBR1GABRA1GABRG2GABRB3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO claimed
EP-0411754-A2 Medicament for the inhibition of interleukin-1 or tumor necrosis factor production by monocytes and/or macrophages SMITHKLINE BEECHAM CORPORATION (US) 1991-02-06 EP disclosed
WO-1990015534-A1 MONOKINE ACTIVITY INTERFERENCE SMITHKLINE BEECHAM CORPORATION (US) 1990-12-27 WO disclosed