SCHEMBL9759112

SCHEMBL9759112

CCC(N1CCCC1)N1c2ccccc2Sc2ccc(C(=S)NCCC(C)C)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
TP53 P04637 4/20 0.38
MAPT P10636 5/20 0.37
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD3 P35462 1/20 0.34
OPRK1 P41145 1/20 0.34
HTR2B P41595 1/20 0.34

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 SCHEMBL9759279 0.99 LMNA (0.43) LMNATP53MAPTMEN1KMT2A
SCHEMBL9334774 0.92 BCHE (0.41) LMNATP53MAPTMEN1KMT2A
SCHEMBL9784924 0.91 LMNA (0.35) LMNATP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9784980 0.90 LMNA (0.35) LMNATP53MAPTMEN1KMT2A
SCHEMBL9331559 0.89 LMNA (0.57) LMNATP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9759697 0.89 BCHE (0.42) LMNATP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9331386 0.88 LMNA (0.56) LMNATP53MAPTMEN1KMT2A
SCHEMBL9504338 0.88 LMNA (0.56) LMNATP53MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL9784877 0.87 HTR1A (0.34) LMNAMAPTMEN1KMT2ACHRM2
SCHEMBL9334180 0.86 BCHE (0.39) LMNAMAPTMEN1KMT2ADRD2

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