SCHEMBL8880987

SCHEMBL8880987

Clc1ccc(COc2ccccc2/C(=N/OCc2ccccc2)n2ccnc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.60
NR1I2 O75469 1/20 0.60
NR3C1 P04150 1/20 0.60
HTR1A P08908 1/20 0.60
ADORA3 P0DMS8 1/20 0.60
TBXA2R P21731 1/20 0.60
SLC6A2 P23975 1/20 0.60
HTR2A P28223 1/20 0.60
HTR2C P28335 1/20 0.60
SLC6A4 P31645 1/20 0.60
ADRA1A P35348 1/20 0.60
OPRK1 P41145 1/20 0.60
HTR2B P41595 1/20 0.60
PDE4D Q08499 1/20 0.60
KCNH2 Q12809 1/20 0.60
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 1/20 0.42
PPIA P62937 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL8880991 1.00 CNR1 (0.60) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL8881027 0.88 HTR1A (0.59) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL8881024 0.88 HTR1A (0.59) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL8881725 0.87 NR1I2 (0.62) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL8881729 0.87 NR1I2 (0.62) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL2450042 0.84 CNR1 (0.56) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL2450043 0.84 CNR1 (0.56) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL2450102 0.83 NR1I2 (0.58) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL2450098 0.83 NR1I2 (0.58) CNR1NR1I2NR3C1HTR1AADORA3
SCHEMBL2451398 0.82 CNR1 (0.55) CNR1NR1I2NR3C1HTR1AADORA3

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
US-5677465-A FUNGICIDE, HERBICIDE, PLANT GROWTH REGULATOR SHIONOGI & CO., LTD. (JP) 1997-10-14 US disclosed
US-5466661-A Benzaldehyde oxime derivatives, production and use thereof SHIONOGI & CO., LTD. (JP) 1995-11-14 US disclosed
EP-0633252-A1 Benzaldehyde oxime derivatives, production and use thereof SHIONOGI & CO., LTD. (JP) 1995-01-11 EP disclosed