SCHEMBL14720749

SCHEMBL14720749

CC(C)(C)OC(=O)N1CCC(=Cc2ccc(CC(=O)O)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.58
SRD5A2 P31213 4/20 0.55
GRM5 P41594 1/20 0.43
GPR119 Q8TDV5 3/20 0.42
HDAC2 Q92769 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
ESR2 Q92731 1/20 0.40
STS P08842 1/20 0.39
NR1H2 P55055 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ACHE P22303 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL14720589 0.86 GRM5 (0.43) SRD5A1SRD5A2GRM5GPR119HDAC2
SCHEMBL18992022 0.85 OGA (0.45) SRD5A1SRD5A2GRM5GPR119HDAC2
SCHEMBL1473227 0.84 GPR119 (0.51) SRD5A1SRD5A2GRM5GPR119ESR2
SCHEMBL14722775 0.84 SRD5A1 (0.42) SRD5A1SRD5A2GRM5GPR119HDAC2
SCHEMBL20304919 0.84 SRD5A2 (0.55) SRD5A2GRM5GPR119HDAC2ESR2
SCHEMBL18280165 0.82 USP30 (0.47) SRD5A1SRD5A2GRM5GPR119KDM4E
SCHEMBL5497099 0.82 MEN1 (0.55) GRM5ESR2STSNR1H2MEN1
SCHEMBL1870570 0.82 NR1H2 (0.54) GRM5GPR119HDAC2ESR2NR1H2
SCHEMBL14720896 0.82 GRM5 (0.46) GRM5GPR119ESR2NR1H2MEN1
SCHEMBL4635083 0.82 GRM5 (0.46) GRM5GPR119HDAC2ESR2NR1H2

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