SCHEMBL7344075

SCHEMBL7344075

CN(C)C(CC#N)CN1c2ccccc2Sc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.60
CHRM2 P08172 6/20 0.60
HTR1A P08908 6/20 0.60
CHRM1 P11229 6/20 0.60
ADRA1A P35348 6/20 0.60
OPRM1 P35372 6/20 0.60
DRD3 P35462 6/20 0.60
KCNH2 Q12809 6/20 0.60
ADRA2A P08913 5/20 0.60
DRD1 P21728 5/20 0.60
SLC6A2 P23975 4/20 0.60
SLC6A4 P31645 4/20 0.60
LMNA P02545 4/20 0.60
PTGS1 P23219 4/20 0.60
ALDH1A1 P00352 4/20 0.60
CYP1A2 P05177 4/20 0.60
ALOX15 P16050 3/20 0.60
HSD17B10 Q99714 3/20 0.60
SLC22A1 O15245 3/20 0.60
DRD2 P14416 3/20 0.60

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
SCHEMBL3475700 0.81 CYP2D6 (0.65) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Aminopromazine SCHEMBL25156 0.81 CHRM2 (0.70) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Aminopromazine SCHEMBL30990818 0.81 CHRM2 (0.70) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Aminopromazine SCHEMBL5307944 0.79 CHRM2 (0.68) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Hydrochloric Acid SCHEMBL8050972 0.79 LMNA (0.66) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Bromide SCHEMBL22588344 0.78 CYP2D6 (0.66) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Promethazine SCHEMBL3991025 0.76 LMNA (0.97) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Promethazine SCHEMBL26777 0.75 CYP2D6 (1.00) CYP2D6CHRM2HTR1ACHRM1ADRA1A
(S)-Promethazine SCHEMBL2900853 0.75 CYP2D6 (1.00) CYP2D6CHRM2HTR1ACHRM1ADRA1A
Promethazine SCHEMBL4700 0.75 CYP2D6 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4833138-A Phenothiazinealkaneamines for treatment of neurotoxic injury WASHINGTON UNIVERSITY (US) 1989-05-23 US disclosed