SCHEMBL9524516

SCHEMBL9524516

Cc1csc(-c2nc3n(c2-c2ccnc(C)c2)CCC3)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.41
TGFBR1 P36897 5/20 0.41
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SLC6A7 Q99884 1/20 0.34
TGFBR2 P37173 2/20 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
GABRA2 P47869 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRA6 Q16445 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3A Q14432 1/20 0.33
GRM2 Q14416 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL7352500 0.87 PDE10A (0.51) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9524943 0.84 TGFBR1 (0.46) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL11473387 0.84 SMN1; SMN2 (0.39) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9700106 0.83 PDE10A (0.47) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9275639 0.82 GRM2 (0.35) PDE10ASLC6A7GABRA1GABRG2GABRB3
SCHEMBL13430532 0.80 TGFBR1 (0.58) PDE10ATGFBR1ATMTGFBR2PDE4D
SCHEMBL7377237 0.80 PDE10A (0.51) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL7370178 0.79 TGFBR1 (0.38) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL9524502 0.78 PDE10A (0.50) PDE10ATGFBR1ATMSMN1; SMN2NPC1
SCHEMBL27309763 0.78 ATM (0.61) PDE10ATGFBR1ATMSMN1; SMN2NPC1

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-0561898-A1 NOVEL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-29 EP claimed
WO-1992010499-A1 NOVEL PROCESS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-06-25 WO claimed