SCHEMBL1132995

SCHEMBL1132995

CNCCN(C)C1CCOc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.37
CYP2D6 P10635 8/20 0.35
SLC6A2 P23975 8/20 0.35
SLC6A3 Q01959 3/20 0.35
MEN1 O00255 2/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
HRH1 P35367 2/20 0.35
KMT2A Q03164 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35

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
SCHEMBL7503754 0.83 TMEM97 (0.38) MEN1KMT2ACHRM2CHRM1CHRM3
SCHEMBL7507128 0.82 HTR2A (0.39) HTR2ACYP2D6SLC6A2HRH1CYP1A2
SCHEMBL12124884 0.81 SLC6A2 (0.39) HTR2ASLC6A2SLC6A3MEN1HRH1
SCHEMBL12608420 0.81 MAOA (0.36) HTR2AMEN1HRH1KMT2AKDM4E
SCHEMBL12565935 0.80 SSTR4 (0.37) HTR2ASLC6A2HRH1KDM4EHTR2C
SCHEMBL10595263 0.78 CYP1A2 (0.41) HTR2ACYP2D6MEN1HRH1KMT2A
SCHEMBL7503701 0.77 ABCB1 (0.41) KCNH2
SCHEMBL803154 0.77 ITGB2 (0.41) LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL29960516 0.72 KCNH2 (0.44) HTR2ACYP2D6SLC6A2MEN1TP53
SCHEMBL7547914 0.72 ALDH1A1 (0.41) HTR2AMEN1TP53HRH1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2287173-A1 10A-AZALIDE COMPOUND HAVING 4-MEMBERED RING STRUCTURE Taisho Pharmaceutical Co., Ltd. (JP) 2011-02-23 EP disclosed