SCHEMBL8567186

SCHEMBL8567186

N#Cc1ccccc1COc1ccc(N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.52
HRH1 P35367 7/20 0.52
MAPT P10636 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HRH2 P25021 4/20 0.49
DRD2 P14416 2/20 0.48
HTR2A P28223 2/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
FFAR1 O14842 1/20 0.47
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
PTK2 Q05397 1/20 0.46
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL7947463 0.78 HRH3 (0.61) HRH3HRH1MAPTHRH2KDM4E
SCHEMBL9270379 0.74 FFAR1 (0.64) MAPTALDH1A1KDM4EHPGDFFAR1
SCHEMBL2981970 0.73 HRH3 (0.64) HRH3HRH1HRH2DRD2HTR2A
SCHEMBL7954928 0.73 HRH1 (0.61) HRH3HRH1MAPTALDH1A1HRH2
SCHEMBL23657631 0.72 TDP1 (0.49) MAPTALDH1A1HPGDFFAR1TSHR
SCHEMBL27462633 0.72 HRH3 (0.49) HRH3HRH1MAPTHRH2TSHR
SCHEMBL7956560 0.71 KDM4E (0.65) HRH3HRH1KDM4EJAK2
SCHEMBL920681 0.70 FFAR1 (0.56) ALDH1A1KDM4EHPGDFFAR1MAOB
SCHEMBL7958205 0.69 F10 (0.53) HRH3HRH1MAPTHRH2FFAR1
SCHEMBL9778462 0.69 KCNH2 (0.52) ALDH1A1HTR2AKDM4EHPGDFFAR1

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-0880501-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1998-12-02 EP disclosed
WO-1997028128-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PHARMACEUTICAL AGENTS ZENECA LIMITED (GB) 1997-08-07 WO disclosed