SCHEMBL9413634

SCHEMBL9413634

CC#CN1C(=O)CC2(CCCC2)CC1=O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
HTR1A P08908 12/20 0.36
ADRA1B P35368 7/20 0.36
ADRA1A P35348 6/20 0.36
DRD2 P14416 2/20 0.33
ADRA1D P25100 2/20 0.33
DRD4 P21917 1/20 0.33
HTR1B P28222 1/20 0.33
DRD3 P35462 1/20 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
SCHEMBL7709836 0.72 SMN1; SMN2 (0.47) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL14820495 0.70 SMN1; SMN2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL9271889 0.67 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL7301175 0.67 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL10299522 0.67 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL12308312 0.67 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL11930032 0.67 SMN1; SMN2 (0.43) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL12601433 0.67 CHRM2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL3379242 0.66 SMN1; SMN2 (0.46) SMN1; SMN2HTR1AADRA1BADRA1ADRD2
SCHEMBL7835878 0.66 SMN1; SMN2 (0.42) SMN1; SMN2HTR1AADRA1BADRA1ADRD2

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-0623616-A1 Heterocyclic compounds and process for the preparation thereof EGIS GYOGYSZERGYAR RT. (HU) 1994-11-09 EP claimed
EP-0623616-A1 Heterocyclic compounds and process for the preparation thereof EGIS GYOGYSZERGYAR RT. (HU) 1994-11-09 EP disclosed