SCHEMBL9759285

SCHEMBL9759285

CCCCCNC(=S)c1ccc2c(c1)N([C@H](C)CN1CCCC1)c1ccccc1S2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
ACHE P22303 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HTR1A P08908 2/20 0.36
DRD2 P14416 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HTR2A P28223 2/20 0.36
ADRA1A P35348 2/20 0.36
HRH1 P35367 2/20 0.36
DRD3 P35462 2/20 0.36
HTR2B P41595 2/20 0.36
KCNH2 Q12809 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2C P28335 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL9759281 1.00 BCHE (0.39) BCHEMEN1KMT2AACHESMN1; SMN2
Hydrochloric Acid SCHEMBL9759357 0.99 BCHE (0.39) BCHEMEN1KMT2AACHESMN1; SMN2
Hydrochloric Acid SCHEMBL9759352 0.99 BCHE (0.39) BCHEMEN1KMT2AACHESMN1; SMN2
SCHEMBL9784963 0.97 BCHE (0.42) BCHEMEN1KMT2AACHESMN1; SMN2
SCHEMBL9784968 0.97 BCHE (0.42) BCHEMEN1KMT2AACHESMN1; SMN2
Hydrochloric Acid SCHEMBL9759691 0.96 BCHE (0.41) BCHEMEN1KMT2AACHESMN1; SMN2
SCHEMBL9332064 0.94 BCHE (0.40) BCHEMEN1KMT2AACHESMN1; SMN2
SCHEMBL9332060 0.94 BCHE (0.40) BCHEMEN1KMT2AACHESMN1; SMN2
SCHEMBL9784832 0.93 BCHE (0.40) BCHEMEN1KMT2AACHESMN1; SMN2
Hydrochloric Acid SCHEMBL9759805 0.92 BCHE (0.39) BCHEMEN1KMT2AACHESMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5049669-A Also diuretics RHONE-POULENC SANTE (FR) 1991-09-17 US disclosed
US-4985419-A Analgesics, Diuretics RHONE-POULENC SANTE (FR) 1991-01-15 US disclosed