SCHEMBL9759043

SCHEMBL9759043

CCC(N1c2ccccc2Sc2ccc(C#N)cc21)N1CCC[C@@H]1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 6/20 0.45
DRD1 P21728 5/20 0.45
HTR1A P08908 4/20 0.45
CHRM2 P08172 3/20 0.45
ADRA2A P08913 3/20 0.45
CHRM1 P11229 3/20 0.45
SLC6A2 P23975 3/20 0.45
SLC6A4 P31645 3/20 0.45
ADRA1A P35348 3/20 0.45
OPRM1 P35372 3/20 0.45
SLC6A3 Q01959 3/20 0.45
KCNH2 Q12809 3/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 3/20 0.45
PTGS1 P23219 2/20 0.45
PGR P06401 1/20 0.45
TBXA2R P21731 1/20 0.45
ACHE P22303 1/20 0.45
DRD2 P14416 5/20 0.36
SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL9759226 1.00 DRD3 (0.45) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9759784 0.82 DRD3 (0.34) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9759075 0.82 DRD3 (0.34) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9759214 0.81 DRD3 (0.45) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9759039 0.81 DRD3 (0.45) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9331502 0.81 DRD3 (0.44) DRD3DRD1HTR1ACHRM2ADRA2A
Hydrochloric Acid SCHEMBL9331483 0.80 DRD3 (0.44) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9758863 0.77 LMNA (0.39) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9759177 0.77 LMNA (0.39) DRD3DRD1HTR1ACHRM2ADRA2A
SCHEMBL9759727 0.77 LMNA (0.51) LMNAMAPTTP53NPC1RAB9A

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-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed