SCHEMBL9633225

SCHEMBL9633225

C#CC=CCN(C)Cc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.70
CYP2D6 P10635 4/20 0.70
SLC6A2 P23975 3/20 0.70
SIGMAR1 Q99720 3/20 0.70
CYP1A2 P05177 2/20 0.70
CYP2C19 P33261 2/20 0.70
NR1I2 O75469 2/20 0.70
HTR2A P28223 2/20 0.70
SLC6A4 P31645 2/20 0.70
KCNH2 Q12809 2/20 0.70
HTT P42858 2/20 0.70
DRD2 P14416 1/20 0.70
ADRA2C P18825 1/20 0.70
CNR1 P21554 1/20 0.70
ADRA1A P35348 1/20 0.70
OPRK1 P41145 1/20 0.70
SLC6A3 Q01959 1/20 0.70
EBP Q15125 1/20 0.70
MEN1 O00255 1/20 0.70
TSHR P16473 1/20 0.70

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
SCHEMBL11006133 1.00 LMNA (0.70) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
SCHEMBL13407742 0.86 CYP2D6 (0.74) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
SCHEMBL13441669 0.83 LMNA (0.71) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
Terbinafine SCHEMBL2028187 0.82 CYP2D6 (1.00) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
SCHEMBL11007434 0.82 CYP2D6 (0.70) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
Terbinafine SCHEMBL37843 0.82 CYP2D6 (1.00) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
SCHEMBL11007426 0.82 CYP2D6 (0.70) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
Terbinafine SCHEMBL5279646 0.82 CYP2D6 (1.00) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
Terbinafine SCHEMBL2042785 0.82 CYP2D6 (1.00) LMNACYP2D6SLC6A2SIGMAR1CYP1A2
Terbinafine SCHEMBL36794 0.82 CYP2D6 (1.00) LMNACYP2D6SLC6A2SIGMAR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132459-A Fungicides SANDOZ LTD. (CH) 1992-07-21 US disclosed
US-4755534-A Propenylamines, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ LTD. (CH) 1988-07-05 US disclosed
US-4542022-A FUNGICIDE SANDOZ LTD. (CH) 1985-09-17 US disclosed
EP-0024587-B1 PROPENYLAMINES, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1984-11-14 EP disclosed
EP-0024587-A1 Propenylamines, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1981-03-11 EP disclosed