SCHEMBL9036255

SCHEMBL9036255

Fc1c(F)c(F)c(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c(F)c1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 7/20 0.62
ALDH1A1 P00352 3/20 0.55
HTR1A P08908 3/20 0.55
CHRM2 P08172 2/20 0.55
ADRA2A P08913 2/20 0.55
CYP2D6 P10635 2/20 0.55
CHRM1 P11229 2/20 0.55
DRD1 P21728 2/20 0.55
TBXA2R P21731 2/20 0.55
SLC6A2 P23975 2/20 0.55
SLC6A4 P31645 2/20 0.55
CYP2C19 P33261 2/20 0.55
ADRA1A P35348 2/20 0.55
OPRM1 P35372 2/20 0.55
DRD3 P35462 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KCNH2 Q12809 2/20 0.55
TSHR P16473 2/20 0.55
ABCB11 O95342 1/20 0.55
TP53 P04637 1/20 0.55

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
Hydrochloric Acid SCHEMBL7218796 0.99 SETD7 (0.61) SETD7ALDH1A1HTR1ACHRM2ADRA2A
SCHEMBL7308368 0.83 SETD7 (0.62) SETD7ALDH1A1HTR1ACHRM2ADRA2A
Hydrochloric Acid SCHEMBL7213765 0.82 SETD7 (0.61) SETD7ALDH1A1HTR1ACHRM2ADRA2A
SCHEMBL9034968 0.82 SETD7 (0.61) SETD7ALDH1A1HTR1ACHRM2ADRA2A
SCHEMBL9035852 0.81 SETD7 (0.68) SETD7ALDH1A1HTR1ACHRM2ADRA2A
Hydrochloric Acid SCHEMBL7218968 0.81 SETD7 (0.59) SETD7ALDH1A1HTR1ACHRM2ADRA2A
Hydrochloric Acid SCHEMBL7213868 0.79 SETD7 (0.66) SETD7ALDH1A1HTR1ACHRM2ADRA2A
SCHEMBL9034482 0.79 SETD7 (0.57) SETD7ALDH1A1HTR1ACHRM2ADRA2A
Hydrochloric Acid SCHEMBL7212333 0.78 SETD7 (0.56) SETD7ALDH1A1HTR1ACHRM2ADRA2A
SCHEMBL9034981 0.77 SETD7 (0.62) SETD7ALDH1A1HTR1ACHRM2ADRA2A

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
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP claimed