SCHEMBL13284571

SCHEMBL13284571

C[C@H](CN(C)C)CN1c2ccccc2Sc2ccc(F)cc21

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 8/20 0.78
HTR1A P08908 8/20 0.78
CHRM1 P11229 8/20 0.78
ADRA1A P35348 8/20 0.78
OPRM1 P35372 8/20 0.78
DRD3 P35462 8/20 0.78
KCNH2 Q12809 8/20 0.78
ADRA2A P08913 7/20 0.78
DRD1 P21728 7/20 0.78
SLC6A2 P23975 6/20 0.78
SLC6A4 P31645 6/20 0.78
TBXA2R P21731 4/20 0.78
SLC6A3 Q01959 4/20 0.78
ABCB11 O95342 3/20 0.78
HRH3 Q9Y5N1 2/20 0.78
CYP2D6 P10635 8/20 0.72
LMNA P02545 6/20 0.71
CYP1A2 P05177 5/20 0.71
MAPK1 P28482 5/20 0.71
PTGS1 P23219 4/20 0.71

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
Methylpromazine SCHEMBL29354434 0.88 CHRM2 (1.00) CHRM2HTR1ACHRM1ADRA1AOPRM1
Methylpromazine SCHEMBL18994 0.88 CHRM2 (1.00) CHRM2HTR1ACHRM1ADRA1AOPRM1
Methylpromazine SCHEMBL18993 0.88 CHRM2 (1.00) CHRM2HTR1ACHRM1ADRA1AOPRM1
Methylpromazine SCHEMBL2774391 0.87 CHRM2 (0.97) CHRM2HTR1ACHRM1ADRA1AOPRM1
SCHEMBL2615384 0.86 HTR1A (0.80) CHRM2HTR1ACHRM1ADRA1AOPRM1
SCHEMBL6944155 0.86 HTR1A (0.80) CHRM2HTR1ACHRM1ADRA1AOPRM1
SCHEMBL2615113 0.85 CYP2D6 (0.76) CHRM2HTR1ACHRM1ADRA1AOPRM1
Trifluomeprazine SCHEMBL941053 0.84 HTR1A (0.72) CHRM2HTR1ACHRM1ADRA1AOPRM1
Etymemazine SCHEMBL790986 0.84 CYP2D6 (1.00) CHRM2HTR1ACHRM1ADRA1AOPRM1
Dextromepromazine SCHEMBL23859840 0.83 CYP2D6 (1.00) CHRM2HTR1ACHRM1ADRA1AOPRM1

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
WO-2010081036-A2 FLUORINE CONTAINING COMPOUNDS AND METHODS OF USE THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-07-15 WO disclosed