SCHEMBL9034690

SCHEMBL9034690

COc1ccccc1CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.62
HTR7 P34969 4/20 0.55
CYP2D6 P10635 3/20 0.55
CHRM2 P08172 2/20 0.55
CHRM4 P08173 2/20 0.55
CHRM5 P08912 2/20 0.55
CHRM1 P11229 2/20 0.55
CHRM3 P20309 2/20 0.55
ALDH1A1 P00352 2/20 0.55
HTR1A P08908 2/20 0.55
DRD2 P14416 2/20 0.55
TSHR P16473 2/20 0.55
HTR2B P41595 2/20 0.55
ABCB11 O95342 1/20 0.55
TP53 P04637 1/20 0.55
CYP1A2 P05177 1/20 0.55
ADRA2A P08913 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD1 P21728 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 SCHEMBL7212607 0.99 SETD7 (0.60) SETD7HTR7CYP2D6CHRM2CHRM4
SCHEMBL7308982 0.90 SETD7 (0.56) SETD7HTR7CYP2D6CHRM2CHRM4
Hydrochloric Acid SCHEMBL7212766 0.89 SETD7 (0.55) SETD7HTR7CYP2D6CHRM2CHRM4
Hydrochloric Acid SCHEMBL7212397 0.86 SETD7 (0.60) SETD7HTR7CYP2D6CHRM2CHRM4
SCHEMBL7218750 0.83 SETD7 (0.56) SETD7HTR7CYP2D6CHRM2CHRM4
SCHEMBL7212383 0.83 SETD7 (0.56) SETD7HTR7CYP2D6CHRM2CHRM4
SCHEMBL9035418 0.82 SETD7 (0.67) SETD7HTR7CYP2D6CHRM2CHRM4
Hydrochloric Acid SCHEMBL7212374 0.82 SETD7 (0.55) SETD7HTR7CYP2D6CHRM2CHRM4
Hydrochloric Acid SCHEMBL7218863 0.81 SETD7 (0.65) SETD7HTR7CYP2D6CHRM2CHRM4
SCHEMBL9035211 0.81 SETD7 (0.60) SETD7HTR7CYP2D6CHRM2CHRM4

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