SCHEMBL9601946

SCHEMBL9601946

COc1ncnc2c1nc(CC1CCN(CCCn3c(=O)[nH]c4ccccc43)CC1)n2Cc1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.44
HTR1A P08908 2/20 0.44
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
KCNH2 Q12809 1/20 0.42
P2RX7 Q99572 1/20 0.41
LMNA P02545 1/20 0.41

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
Fumaric Acid SCHEMBL9565037 0.95 USP2 (0.46) HTR7HTR1AP2RX7
SCHEMBL9564927 0.89 P2RX7 (0.44) HTR7HTR1ACHRM5CHRM1DRD2
SCHEMBL9602457 0.85 CYP1A2 (0.45) HTR1ADRD2HTR2ADRD3KCNH2
SCHEMBL9564830 0.83 SSTR5 (0.43) KCNH2LMNA
Fumaric Acid SCHEMBL9565017 0.81 CYP1A2 (0.48) P2RX7LMNA
SCHEMBL1152886 0.78 LMNA (0.60) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL10546931 0.77 GRIN1 (0.47) HTR1ADRD2HTR2ADRD3KCNH2
SCHEMBL10552682 0.77 USP2 (0.47) HTR7HTR1ADRD2HTR2ADRD3
SCHEMBL9564922 0.76 KCNH2 (0.43) HTR7HTR1ADRD2HTR2AKCNH2
SCHEMBL10550233 0.75 ACHE (0.51) HTR7HTR1ADRD2HTR2ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206415-B1 (4-PIPERIDINYLMETHYL AND -HETERO)PURINES JANSSEN PHARMACEUTICA N.V. (BE) 1993-01-27 EP disclosed