SCHEMBL14722832

SCHEMBL14722832

CN(C)C(=O)c1cc(OCc2ccc(C=C3CCN(C4CCC4)CC3)cc2)no1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OGA O60502 5/20 0.38
HRH3 Q9Y5N1 7/20 0.37
CYP2D6 P10635 4/20 0.36
SMPD1 P17405 2/20 0.36
KMT2A Q03164 2/20 0.34
KDM2B Q8NHM5 1/20 0.34
MEN1 O00255 1/20 0.34
RAB9A P51151 1/20 0.34
SRD5A2 P31213 1/20 0.33

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
SCHEMBL14722870 0.85 OGA (0.40) OGASMPD1RAB9ASRD5A2
SCHEMBL14720755 0.84 HRH3 (0.40) HRH3CYP2D6KMT2AMEN1RAB9A
SCHEMBL14720972 0.73 HRH3 (0.42) HRH3CYP2D6SRD5A2
SCHEMBL14722348 0.72 HRH3 (0.38) HRH3CYP2D6KMT2AMEN1RAB9A
SCHEMBL14722974 0.72 HRH3 (0.39) HRH3CYP2D6
SCHEMBL14720430 0.71 SRD5A2 (0.43) HRH3KMT2AKDM2BSRD5A2
SCHEMBL14721047 0.71 GPR119 (0.42) OGASMPD1
SCHEMBL14721400 0.71 SRD5A2 (0.48) OGAHRH3KMT2AKDM2BSRD5A2
SCHEMBL14731083 0.70 SRD5A2 (0.46) HRH3KMT2ARAB9ASRD5A2
SCHEMBL14720688 0.70 GPR119 (0.41) OGASMPD1

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