SCHEMBL9759738

SCHEMBL9759738

CCCNC(=S)c1ccc2c(c1)N(C(C)CN(CC)CC)c1ccccc1S2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ACHE P22303 3/20 0.40
TP53 P04637 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CHRM2 P08172 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
OPRK1 P41145 1/20 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
Hydrochloric Acid SCHEMBL9759111 0.99 BCHE (0.41) BCHENPSR1ACHETP53MEN1
Hydrochloric Acid SCHEMBL9759445 0.99 BCHE (0.41) BCHENPSR1ACHETP53MEN1
SCHEMBL9784838 0.94 BCHE (0.43) BCHENPSR1ACHETP53MEN1
SCHEMBL9784841 0.94 BCHE (0.43) BCHENPSR1ACHETP53MEN1
SCHEMBL9784896 0.94 CHRM2 (0.39) BCHEACHETP53MEN1KMT2A
SCHEMBL9784898 0.94 CHRM2 (0.39) BCHEACHETP53MEN1KMT2A
Hydrochloric Acid SCHEMBL9759375 0.93 BCHE (0.43) BCHENPSR1ACHETP53MEN1
Hydrochloric Acid SCHEMBL9759371 0.93 BCHE (0.43) BCHENPSR1ACHETP53MEN1
SCHEMBL9331631 0.93 LMNA (0.46) BCHEACHETP53MEN1KMT2A
SCHEMBL9759252 0.93 LMNA (0.46) BCHEACHETP53MEN1KMT2A

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