SCHEMBL3377386

SCHEMBL3377386

Cc1noc(C)c1OC(=O)N(C)CC1CC(Oc2cc(F)c(CN3CCCC3)c(Cl)c2)C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
GAA P10253 1/20 0.32
ALDH1A1 P00352 3/20 0.32
HTR2C P28335 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
FFAR1 O14842 1/20 0.31
ALOX15 P16050 1/20 0.31
KCNH2 Q12809 3/20 0.31
MCHR1 Q99705 3/20 0.31
ADRB2 P07550 1/20 0.31
KDM4E B2RXH2 2/20 0.31
TSHR P16473 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BRD4 O60885 1/20 0.30

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
SCHEMBL3381390 0.94 HTR2C (0.33) HRH3GAAALDH1A1HTR2CLMNA
Hydrochloric Acid SCHEMBL3381040 0.87 HRH3 (0.36) HRH3GAAALDH1A1HTR2CLMNA
Hydrochloric Acid SCHEMBL3381038 0.87 HRH3 (0.36) HRH3GAAALDH1A1HTR2CLMNA
SCHEMBL3377365 0.86 HRH3 (0.47) HRH3GAALMNAKCNH2MCHR1
SCHEMBL3375226 0.82 HRH3 (0.42) HRH3LMNABRD4
SCHEMBL3375070 0.82 HRH3 (0.43) HRH3GAAALDH1A1TDP1LMNA
SCHEMBL3375072 0.82 HRH3 (0.43) HRH3GAAALDH1A1TDP1LMNA
Hydrochloric Acid SCHEMBL3380360 0.81 USP2 (0.35) HRH3ALDH1A1HTR2CFFAR1ADRB2
Hydrochloric Acid SCHEMBL3380364 0.81 USP2 (0.35) HRH3ALDH1A1HTR2CFFAR1ADRB2
SCHEMBL3378689 0.80 HRH3 (0.39) HRH3ALDH1A1KDM4EPOLB

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-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed