SCHEMBL10367408

SCHEMBL10367408

CC(CN1c2ccccc2Sc2cc(C=CC(=O)O)ccc21)N(C)C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.62
CHRM2 P08172 4/20 0.62
HTR1A P08908 4/20 0.62
CHRM1 P11229 4/20 0.62
ADRA1A P35348 4/20 0.62
OPRM1 P35372 4/20 0.62
DRD3 P35462 4/20 0.62
KCNH2 Q12809 4/20 0.62
LMNA P02545 3/20 0.62
HRH1 P35367 3/20 0.62
ALOX15 P16050 3/20 0.62
HSD17B10 Q99714 3/20 0.62
ALDH1A1 P00352 3/20 0.62
ADRA2A P08913 3/20 0.62
DRD1 P21728 3/20 0.62
SLC6A2 P23975 3/20 0.62
SLC6A4 P31645 3/20 0.62
PTGS1 P23219 3/20 0.62
DRD2 P14416 2/20 0.62
ADRA2B P18089 2/20 0.62

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
SCHEMBL10367407 1.00 CYP2D6 (0.62) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Hydrochloric Acid SCHEMBL10368127 0.99 LMNA (0.62) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Hydrochloric Acid SCHEMBL10368129 0.99 LMNA (0.62) CYP2D6CHRM2HTR1ACHRM1ADRA1A
SCHEMBL7343102 0.95 CHRM2 (0.64) CYP2D6CHRM2HTR1ACHRM1ADRA1A
SCHEMBL7343108 0.95 CHRM2 (0.64) CYP2D6CHRM2HTR1ACHRM1ADRA1A
SCHEMBL10369438 0.89 CHRM2 (0.58) CYP2D6CHRM2HTR1ACHRM1ADRA1A
SCHEMBL10369441 0.89 CHRM2 (0.58) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Promethazine SCHEMBL3682874 0.88 CYP2D6 (0.76) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Promethazine SCHEMBL2118132 0.88 CYP2D6 (0.76) CYP2D6CHRM2HTR1ACHRM1ADRA1A
SCHEMBL10052733 0.84 CYP2D6 (0.71) CYP2D6CHRM2HTR1ACHRM1ADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0117302-B1 PHENOTHIAZINE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-27 EP claimed
EP-0117302-B1 PHENOTHIAZINE DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1990-06-27 EP disclosed
EP-0117302-A2 Phenothiazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1984-09-05 EP disclosed