SCHEMBL4955705

SCHEMBL4955705

OCCC(OCCCN1CCCC1)N1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.41
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KCNH2 Q12809 2/20 0.36
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
HTR2A P28223 1/20 0.35
SCN1A P35498 1/20 0.35
HTR2B P41595 1/20 0.35
SCN2A Q99250 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
SCN3A Q9NY46 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL5127782 0.82 HRH3 (0.39) HRH3ALDH1A1KDM4ECYP2D6
SCHEMBL4955698 0.80 HRH3 (0.41) HRH3ALDH1A1KDM4EKCNH2MAPK1
SCHEMBL4686233 0.80 CYP3A4 (0.34) HRH3KCNH2CYP1A2CHRM2CHRM1
SCHEMBL1718577 0.79 CYP3A4 (0.36) HRH3KCNH2CYP1A2CHRM2CHRM1
SCHEMBL27814848 0.78 HRH3 (0.39) HRH3ALDH1A1KDM4EKCNH2MAPK1
SCHEMBL7551660 0.76 HRH3 (0.42) HRH3ALDH1A1KDM4EKCNH2MAPK1
SCHEMBL7161466 0.73 HRH3 (0.41) HRH3ALDH1A1KDM4EKCNH2MAPK1
SCHEMBL8985144 0.70 POLB (0.38) ALDH1A1KDM4EUSP2LMNAGAA
SCHEMBL28908259 0.68 ALDH1A1 (0.46) HRH3ALDH1A1KDM4EKCNH2MAPK1
SCHEMBL25019770 0.68 ALDH1A1 (0.55) HRH3ALDH1A1KDM4EMAPK1CYP1A2

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