SCHEMBL9758857

SCHEMBL9758857

CC(C)CCNC(=S)c1ccc2c(c1)N(C(C)CN1CCC[C@@H]1CO)c1ccccc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
TP53 P04637 4/20 0.35
MAPT P10636 2/20 0.34
SPHK1 Q9NYA1 2/20 0.32
CHRM3 P20309 4/20 0.32
CHRM2 P08172 3/20 0.32
CHRM1 P11229 3/20 0.32
ADRA2B P18089 3/20 0.32
HTR2A P28223 3/20 0.32
HTR2C P28335 3/20 0.32
ADRA1A P35348 3/20 0.32
HRH1 P35367 3/20 0.32
DRD3 P35462 3/20 0.32
HTR2B P41595 3/20 0.32
KCNH2 Q12809 3/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
OPRM1 P35372 2/20 0.32
PDCD1 Q15116 2/20 0.32

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
SCHEMBL9759168 1.00 LMNA (0.40) LMNATP53MAPTSPHK1CHRM3
Hydrochloric Acid SCHEMBL9759731 0.99 LMNA (0.39) LMNATP53MAPTSPHK1CHRM3
SCHEMBL9759720 0.90 LMNA (0.51) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759228 0.90 LMNA (0.51) LMNATP53MAPTMEN1KMT2A
SCHEMBL9759055 0.85 PDCD1 (0.35) LMNATP53MAPTSPHK1CHRM3
SCHEMBL9759067 0.85 PDCD1 (0.35) LMNATP53MAPTSPHK1CHRM3
SCHEMBL9759177 0.85 LMNA (0.39) LMNATP53MAPTCHRM3CHRM2
SCHEMBL9758863 0.85 LMNA (0.39) LMNATP53MAPTCHRM3CHRM2
SCHEMBL9759106 0.84 LMNA (0.44) LMNATP53MAPTCHRM3CHRM2
Hydrochloric Acid SCHEMBL9759734 0.84 LMNA (0.39) LMNATP53MAPTCHRM3CHRM2

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