SCHEMBL9035340

SCHEMBL9035340

O=[N+]([O-])c1ccccc1CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.56
ACHE P22303 1/20 0.54
ALDH1A1 P00352 7/20 0.51
KDM4E B2RXH2 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
POLB P06746 1/20 0.51
HTT P42858 2/20 0.49
ABCB11 O95342 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CHRM4 P08173 1/20 0.49
HTR1A P08908 1/20 0.49
CHRM5 P08912 1/20 0.49
ADRA2A P08913 1/20 0.49
CYP2D6 P10635 1/20 0.49
CHRM1 P11229 1/20 0.49
DRD2 P14416 1/20 0.49
TSHR P16473 1/20 0.49

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 SCHEMBL7212574 0.99 SETD7 (0.54) SETD7ACHEALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7212597 0.87 SETD7 (0.56) SETD7ACHEALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7213932 0.86 SETD7 (0.58) SETD7ACHEALDH1A1KDM4EMEN1
SCHEMBL9034261 0.81 SETD7 (0.54) SETD7ACHEALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL7212354 0.81 SETD7 (0.53) SETD7ACHEALDH1A1KDM4EMEN1
SCHEMBL12511057 0.79 ACHE (0.74) ACHEALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL9455509 0.79 SETD7 (0.46) SETD7ACHEALDH1A1KDM4EMEN1
SCHEMBL9035520 0.79 MEN1 (0.54) SETD7ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7218937 0.78 CYP1A2 (0.51) SETD7ALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL7217856 0.78 CYP1A2 (0.51) SETD7ALDH1A1KDM4EMEN1KMT2A

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