SCHEMBL4955698

SCHEMBL4955698

[O]CCC(OCCCN1CCOCC1)N1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.41
MAPK1 P28482 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
HTR2A P28223 1/20 0.38
SCN1A P35498 1/20 0.38
HTR2B P41595 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN2A Q99250 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN3A Q9NY46 1/20 0.38
KEAP1 Q14145 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL4955705 0.80 HRH3 (0.41) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL27814848 0.78 HRH3 (0.39) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL5146583 0.77 TDP1 (0.35) HRH3ALDH1A1LMNAKDM4E
SCHEMBL7551660 0.76 HRH3 (0.42) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL23979805 0.73 KEAP1 (0.48) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL5127782 0.73 HRH3 (0.39) HRH3ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7161466 0.70 HRH3 (0.41) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL21093848 0.70 HRH3 (0.49) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL9917383 0.70 HRH3 (0.51) HRH3MAPK1ALDH1A1CYP1A2CHRM2
SCHEMBL2573854 0.69 TDP1 (0.36) HRH3MAPK1ALDH1A1CYP1A2CHRM2

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
US-7358222-B2 Preventing airway mucus production by administration of EGF-R antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-15 US claimed