SCHEMBL9758877

SCHEMBL9758877

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.41
HTR1A P08908 5/20 0.41
ADRA2A P08913 5/20 0.41
CHRM1 P11229 5/20 0.41
DRD1 P21728 5/20 0.41
ADRA1A P35348 5/20 0.41
OPRM1 P35372 5/20 0.41
DRD3 P35462 5/20 0.41
KCNH2 Q12809 5/20 0.41
LMNA P02545 5/20 0.41
PTGS1 P23219 5/20 0.41
SLC6A2 P23975 4/20 0.41
SLC6A4 P31645 4/20 0.41
MAPK1 P28482 4/20 0.41
TBXA2R P21731 3/20 0.41
ACHE P22303 3/20 0.41
SLC6A3 Q01959 2/20 0.41
PGR P06401 1/20 0.41
HRH3 Q9Y5N1 2/20 0.40
ABCB11 O95342 1/20 0.40

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
SCHEMBL9758872 1.00 CHRM2 (0.41) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9759321 0.91 CHRM2 (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9759318 0.91 CHRM2 (0.47) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9759877 0.87 CHRM2 (0.40) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9759880 0.87 CHRM2 (0.40) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9758590 0.86 BCHE (0.43) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9758598 0.86 BCHE (0.43) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9759048 0.86 ACHE (0.41) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9331892 0.86 ACHE (0.41) CHRM2HTR1AADRA2ACHRM1DRD1
SCHEMBL9758875 0.85 BCHE (0.39) CHRM2HTR1AADRA2ACHRM1DRD1

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