SCHEMBL14723601

SCHEMBL14723601

CC(C)(C)C1CC(O)(Cc2ccc(C=C3CCN(C4CCC4)CC3)cc2)CCN1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
SRD5A2 P31213 3/20 0.35
OPRL1 P41146 3/20 0.33
PKM P14618 1/20 0.33
HRH3 Q9Y5N1 5/20 0.32
TACR1 P25103 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.31
SRD5A1 P18405 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL14720685 0.84 POLB (0.36) POLBSRD5A2PKMHRH3KDM4E
SCHEMBL14720796 0.79 SRD5A2 (0.39) POLBSRD5A2HRH3TACR1KCNH2
SCHEMBL14723599 0.78 HRH3 (0.43) POLBSRD5A2HRH3
SCHEMBL14720924 0.78 SRD5A2 (0.38) POLBSRD5A2OPRL1HRH3KDM4E
SCHEMBL14720789 0.74 HRH3 (0.37) POLBSRD5A2HRH3KDM4ESRD5A1
SCHEMBL14720772 0.74 HRH3 (0.37) POLBSRD5A2HRH3
SCHEMBL14720597 0.74 POLB (0.38) POLBSRD5A2PKMHRH3TACR1
SCHEMBL14720667 0.73 SRD5A2 (0.34) POLBSRD5A2HRH3
SCHEMBL14720505 0.72 HRH3 (0.35) POLBSRD5A2HRH3
SCHEMBL14720504 0.72 HRH3 (0.35) POLBSRD5A2HRH3

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
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 WO disclosed