SCHEMBL9759826

SCHEMBL9759826

CCCNC(=S)c1ccc2c(c1)N(C(C)CN1CC=CC1)c1ccccc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR2A P28223 2/20 0.37
ADRA1A P35348 2/20 0.37
HRH1 P35367 2/20 0.37
DRD3 P35462 2/20 0.37
HTR2B P41595 2/20 0.37
KCNH2 Q12809 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRK1 P41145 1/20 0.37
LMNA P02545 2/20 0.35
MAPT P10636 3/20 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
Fumaric Acid SCHEMBL9759360 0.93 BCHE (0.39) BCHENPSR1HTR1ADRD2ADRA2B
Fumaric Acid SCHEMBL9759336 0.93 BCHE (0.39) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9332060 0.90 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9332064 0.90 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9784832 0.90 BCHE (0.40) BCHENPSR1HTR1ADRD2ADRA2B
Hydrochloric Acid SCHEMBL9759805 0.89 BCHE (0.39) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9334129 0.87 KMT2A (0.40) BCHEHTR1ADRD2ADRA2BADRA2C
SCHEMBL9331493 0.86 BCHE (0.44) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9332015 0.86 BCHE (0.44) BCHENPSR1HTR1ADRD2ADRA2B
SCHEMBL9331499 0.86 BCHE (0.44) BCHENPSR1HTR1ADRD2ADRA2B

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