SCHEMBL9034128

SCHEMBL9034128

CCCCCCCCN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 4/20 1.00
ALDH1A1 P00352 2/20 0.61
CYP1A2 P05177 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C19 P33261 2/20 0.61
KCNH2 Q12809 2/20 0.61
ABCB11 O95342 1/20 0.61
TP53 P04637 1/20 0.61
CHRM2 P08172 1/20 0.61
CHRM4 P08173 1/20 0.61
HTR1A P08908 1/20 0.61
CHRM5 P08912 1/20 0.61
ADRA2A P08913 1/20 0.61
CHRM1 P11229 1/20 0.61
DRD2 P14416 1/20 0.61
TSHR P16473 1/20 0.61
ADRA2B P18089 1/20 0.61
ADRA2C P18825 1/20 0.61
CHRM3 P20309 1/20 0.61
DRD1 P21728 1/20 0.61

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
SCHEMBL9035792 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9034270 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7217901 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7310391 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9034692 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9035433 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9036366 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9035995 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL9034865 1.00 SETD7 (1.00) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19
Hydrochloric Acid SCHEMBL7213774 0.99 SETD7 (0.97) SETD7ALDH1A1CYP1A2CYP2D6CYP2C19

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