SCHEMBL7945513

SCHEMBL7945513

Cc1nc(C2CCCCC2)n[c]c1Cl

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.37
CHRM3 P20309 8/20 0.33
PDE4A P27815 6/20 0.33
PDE4B Q07343 6/20 0.33
PDE4C Q08493 6/20 0.33
PDE4D Q08499 6/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TDP2 O95551 1/20 0.31
PSMB5 P28074 1/20 0.30

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
SCHEMBL790567 0.71 PDE10A (0.39) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL909354 0.70 PDE10A (0.64) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL27945167 0.68 PDE10A (0.37) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL22340924 0.67 TDP2 (0.38) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL22340274 0.67 TDP2 (0.38) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL22341027 0.67 TDP2 (0.38) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL789951 0.66 PDE10A (0.34) PDE10A
SCHEMBL4421489 0.65 PDE10A (0.83) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL909717 0.64 CHRM3 (0.43) PDE10ACHRM3PDE4APDE4BPDE4C
SCHEMBL19679965 0.64 PDE10A (0.45) PDE10ACHRM3PDE4APDE4BPDE4C

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
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
CN-1187814-A (hetero) aryloxy-, -thio-and-aminocrotonates, preparation and use thereof BASF AG (DE) 1998-07-15 CN disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed