SCHEMBL14722870

SCHEMBL14722870

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

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OGA O60502 12/20 0.40
SMPD1 P17405 2/20 0.40
SRD5A1 P18405 1/20 0.37
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SRD5A2 P31213 2/20 0.35
HDAC2 Q92769 1/20 0.35
CCNT1 O60563 1/20 0.34
CDK9 P50750 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
SCHEMBL14722713 0.88 GPR119 (0.40) OGASMPD1HDAC2
SCHEMBL14722832 0.85 OGA (0.38) OGASMPD1RAB9ASRD5A2
SCHEMBL14721047 0.79 GPR119 (0.42) OGASMPD1SRD5A1HDAC2
SCHEMBL14720688 0.76 GPR119 (0.41) OGASMPD1HDAC2
SCHEMBL28098574 0.71 GSK3B (0.51) SRD5A1RAB9AHDAC2
SCHEMBL14720576 0.69 SRD5A1 (0.52) OGASRD5A1SRD5A2HDAC2
SCHEMBL14722165 0.68 SRD5A1 (0.51) OGASRD5A1SRD5A2HDAC2
SCHEMBL14720706 0.68 SRD5A1 (0.51) OGASRD5A1SRD5A2HDAC2
SCHEMBL14720755 0.67 HRH3 (0.40) RAB9A
SCHEMBL22683282 0.67 SRD5A1 (0.50) OGASRD5A1SRD5A2HDAC2

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