SCHEMBL14722734

SCHEMBL14722734

CCN1CCC(=Cc2ccc(CCO)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OGA O60502 7/20 0.52
HRH3 Q9Y5N1 1/20 0.41
SRD5A1 P18405 1/20 0.37
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CA2 P00918 1/20 0.35
SRD5A2 P31213 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
KLK7 P49862 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCHR1 Q99705 3/20 0.35
USP2 O75604 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL22683282 0.78 SRD5A1 (0.50) OGASRD5A1CYP4F2CYP4A11SRD5A2
SCHEMBL14721386 0.78 GPR183 (0.49) OGAHRH3MCHR1
SCHEMBL14721028 0.78 HRH3 (0.45) OGAHRH3ALDH1A1KDM4EMEN1
SCHEMBL18741389 0.77 HRH3 (0.47) OGAHRH3SRD5A1ALDH1A1SRD5A2
SCHEMBL14720801 0.75 HRH3 (0.47) OGAHRH3ALDH1A1KDM4ELMNA
SCHEMBL20587570 0.74 OGA (0.40) OGAHRH3SRD5A1CYP4F2CYP4A11
SCHEMBL14720584 0.73 SRD5A2 (0.47) OGAHRH3SRD5A1SRD5A2MCHR1
SCHEMBL18992022 0.73 OGA (0.45) OGASRD5A1CYP4F2CYP4A11SRD5A2
SCHEMBL14721932 0.73 GPR183 (0.45) OGAHRH3MCHR1
SCHEMBL14721354 0.72 HRH3 (0.47) OGAHRH3SRD5A2MEN1KMT2A

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 claimed