SCHEMBL3380329

SCHEMBL3380329

c1nc(N2CCSCC2)nc2c1CCNCC2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTR2A P28223 4/20 0.51
HTR2C P28335 13/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR3A P46098 1/20 0.42
HTR6 P50406 1/20 0.42
HTR2B P41595 9/20 0.40
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL22720338 0.79 SMN1; SMN2 (0.76) POLBSMN1; SMN2HTR2AHTR2CCHRM4
SCHEMBL25677916 0.77 HTR2C (0.56) POLBSMN1; SMN2HTR2AHTR2CLMNA
SCHEMBL8898686 0.77 SMN1; SMN2 (0.54) POLBSMN1; SMN2HTR2AHTR2CLMNA
SCHEMBL4071219 0.77 POLB (0.54) POLBSMN1; SMN2HTR2AHTR2CCHRM4
Hydrochloric Acid SCHEMBL8898072 0.76 SMN1; SMN2 (0.52) POLBSMN1; SMN2HTR2AHTR2CLMNA
SCHEMBL4011767 0.75 HTR2A (0.61) HTR2AHTR2CCHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL4203716 0.73 HTR2C (0.60) HTR2AHTR2CHTR3AHTR6HTR2B
SCHEMBL1020021 0.73 POLB (0.72) POLBSMN1; SMN2HTR2C
SCHEMBL1622748 0.72 HTR2A (0.82) SMN1; SMN2HTR2AHTR2CHTR2B
SCHEMBL24920554 0.70 LMNA (0.50) POLBSMN1; SMN2LMNAMAPT

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
WO-2010053825-A1 2-AMINOPYRIMIDINE COMPOUNDS AS SEROTONIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-05-14 WO claimed