SCHEMBL9035322

SCHEMBL9035322

C1=Cc2ccccc2C(=C2CCN(CCCCCCCCC3CCCCC3)CC2)c2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 4/20 0.66
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM1 P11229 2/20 0.50
CHRM3 P20309 2/20 0.50
DRD2 P14416 2/20 0.50
DRD3 P35462 2/20 0.50
ABCB11 O95342 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50
TBXA2R P21731 1/20 0.50

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
SCHEMBL9034738 1.00 SETD7 (0.66) SETD7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9034364 1.00 SETD7 (0.66) SETD7CHRM2CHRM4CHRM5CHRM1
SCHEMBL7309778 1.00 SETD7 (0.66) SETD7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7212570 0.99 SETD7 (0.65) SETD7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7218896 0.99 SETD7 (0.65) SETD7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7217685 0.99 SETD7 (0.65) SETD7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7218674 0.99 SETD7 (0.65) SETD7CHRM2CHRM4CHRM5CHRM1
SCHEMBL7300338 0.99 SETD7 (0.64) SETD7CHRM2CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL7213749 0.98 SETD7 (0.62) SETD7CHRM2CHRM4CHRM5CHRM1
SCHEMBL7300854 0.95 SETD7 (0.62) SETD7CHRM2CHRM4CHRM5CHRM1

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 2 patents. 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
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 EP claimed