SCHEMBL9759749

SCHEMBL9759749

CC1SCN(CCCCN2CCN(c3n[nH]c4ccccc34)CC2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.46
DRD2 P14416 3/20 0.46
HTR1A P08908 3/20 0.46
HTR2A P28223 2/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
DRD3 P35462 2/20 0.45
LMNA P02545 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
TBXA2R P21731 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL8303832 0.86 DRD4 (0.39) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL7990198 0.84 HTR1A (0.63) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8302484 0.82 PARP1 (0.47) PARP1DRD2HTR1AHTR2AHTR7
SCHEMBL7997114 0.82 HTR1A (0.60) DRD2HTR1AHTR2AHTR7HTR6
SCHEMBL8302001 0.80 PARP1 (0.48) PARP1DRD2DRD3
SCHEMBL8446873 0.77 DRD2 (0.45) PARP1DRD2HTR1AHTR2AHTR7
SCHEMBL9760169 0.76 HTR2A (0.52) PARP1DRD2HTR1AHTR2AHTR7
SCHEMBL8302387 0.76 PARP1 (0.47) PARP1
SCHEMBL8301654 0.75 PARP1 (0.46) PARP1
SCHEMBL8306648 0.74 DRD4 (0.54) PARP1HTR2A

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
US-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US claimed