SCHEMBL9758875

SCHEMBL9758875

CCCN(C)C[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.39
CHRM2 P08172 7/20 0.39
HTR1A P08908 7/20 0.39
CHRM1 P11229 7/20 0.39
ADRA1A P35348 7/20 0.39
OPRM1 P35372 7/20 0.39
DRD3 P35462 7/20 0.39
KCNH2 Q12809 7/20 0.39
ADRA2A P08913 6/20 0.39
DRD1 P21728 6/20 0.39
SLC6A2 P23975 5/20 0.39
SLC6A4 P31645 5/20 0.39
LMNA P02545 5/20 0.39
MAPK1 P28482 4/20 0.39
TBXA2R P21731 3/20 0.39
PTGS1 P23219 3/20 0.39
ACHE P22303 3/20 0.39
SLC6A3 Q01959 2/20 0.39
PGR P06401 1/20 0.39
CYP2D6 P10635 6/20 0.38

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
SCHEMBL9758870 1.00 BCHE (0.39) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9759877 0.91 CHRM2 (0.40) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9759880 0.91 CHRM2 (0.40) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9758722 0.90 LMNA (0.40) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9758715 0.90 LMNA (0.40) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9784839 0.89 BCHE (0.39) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9759318 0.88 CHRM2 (0.47) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9759321 0.88 CHRM2 (0.47) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9331892 0.85 ACHE (0.41) BCHECHRM2HTR1ACHRM1ADRA1A
SCHEMBL9758872 0.85 CHRM2 (0.41) BCHECHRM2HTR1ACHRM1ADRA1A

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