SCHEMBL9035820

SCHEMBL9035820

CCCCCCCCCCN1CCC(=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.73
SIGMAR1 Q99720 9/20 0.56
ALDH1A1 P00352 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
PTAFR P25105 1/20 0.50
LMNA P02545 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CNR1 P21554 1/20 0.50
DRD1 P21728 1/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA1D P25100 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
Hydrochloric Acid SCHEMBL7212389 0.99 SETD7 (0.71) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL6808519 0.85 SETD7 (0.61) SETD7SIGMAR1PTAFRLMNAADRB2
SCHEMBL9036366 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL9034692 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL7217901 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL9034865 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL9034270 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL7310391 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL9035995 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6
SCHEMBL9035433 0.84 SETD7 (1.00) SETD7SIGMAR1ALDH1A1CYP1A2CYP2D6

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