SCHEMBL9758142

SCHEMBL9758142

CCN(CCO)C[C@@H](C)N1c2ccccc2Sc2ccc(C#N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 5/20 0.39
CHRM2 P08172 3/20 0.39
HTR1A P08908 3/20 0.39
CHRM1 P11229 3/20 0.39
DRD3 P35462 3/20 0.39
FPR2 P25090 2/20 0.39
ADRA2A P08913 2/20 0.39
DRD1 P21728 2/20 0.39
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
ADRA1A P35348 2/20 0.39
OPRM1 P35372 2/20 0.39
KCNH2 Q12809 2/20 0.39
SLC6A3 Q01959 2/20 0.39
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
PGR P06401 1/20 0.39
TBXA2R P21731 1/20 0.39

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
SCHEMBL9758135 1.00 MEN1 (0.42) MEN1KMT2AACHECHRM2HTR1A
SCHEMBL9784839 0.93 BCHE (0.39) ACHECHRM2HTR1ACHRM1DRD3
SCHEMBL9759048 0.92 ACHE (0.41) ACHECHRM2HTR1ACHRM1DRD3
SCHEMBL9331892 0.92 ACHE (0.41) ACHECHRM2HTR1ACHRM1DRD3
SCHEMBL9758722 0.88 LMNA (0.40) MEN1KMT2AACHECHRM2HTR1A
SCHEMBL9758715 0.88 LMNA (0.40) MEN1KMT2AACHECHRM2HTR1A
SCHEMBL9759877 0.84 CHRM2 (0.40) KMT2AACHECHRM2HTR1ACHRM1
SCHEMBL9759880 0.84 CHRM2 (0.40) KMT2AACHECHRM2HTR1ACHRM1
SCHEMBL9758590 0.83 BCHE (0.43) KMT2AACHECHRM2HTR1ACHRM1
SCHEMBL9758598 0.83 BCHE (0.43) KMT2AACHECHRM2HTR1ACHRM1

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