SCHEMBL9525458

SCHEMBL9525458

CC(=O)N(N)N(C)Cc1cccc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
METAP2 P50579 8/20 0.46
TDP1 Q9NUW8 1/20 0.46
NLN Q9BYT8 2/20 0.46
METAP1 P53582 4/20 0.44
MTNR1A P48039 1/20 0.43
NR1I2 O75469 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2A P28223 2/20 0.43
SLC6A4 P31645 2/20 0.43
KCNH2 Q12809 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
LMNA P02545 2/20 0.43
DRD2 P14416 1/20 0.43
ADRA2C P18825 1/20 0.43
CNR1 P21554 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL23972323 0.81 CYP1A2 (0.62) CYP2D6CYP1A2CYP2C19METAP2TDP1
SCHEMBL22651839 0.79 CYP1A2 (0.59) CYP2D6CYP1A2CYP2C19METAP2TDP1
SCHEMBL18773886 0.77 CYP2D6 (0.71) CYP2D6CYP1A2CYP2C19METAP2TDP1
SCHEMBL10044464 0.75 CYP2D6 (0.69) CYP2D6CYP1A2CYP2C19METAP2TDP1
SCHEMBL15224110 0.73 CYP1A2 (0.56) CYP2D6CYP1A2CYP2C19METAP2TDP1
SCHEMBL10932466 0.73 CYP2D6 (1.00) CYP2D6CYP1A2CYP2C19NR1I2SLC6A2
SCHEMBL820553 0.73 CYP2D6 (0.77) CYP2D6CYP1A2CYP2C19TDP1NR1I2
SCHEMBL31316173 0.73 CYP2D6 (0.77) CYP2D6CYP1A2CYP2C19TDP1NR1I2
SCHEMBL26027575 0.72 METAP2 (0.62) CYP2D6CYP1A2CYP2C19METAP2TDP1
SCHEMBL15224109 0.72 CYP1A2 (0.54) CYP2D6CYP1A2CYP2C19METAP2TDP1

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-0396769-B1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1993-03-10 EP disclosed
US-5093480-A Fungicides KOWA COMPANY, LTD. (JP) 1992-03-03 US disclosed
EP-0396769-A1 AZOXY COMPOUND KOWA CO. LTD. (JP) 1990-11-14 EP disclosed