SCHEMBL14720802

SCHEMBL14720802

CC(C)(O)c1ccc(C=C2CCN(C3CCC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SRD5A2 P31213 4/20 0.38
KDM2B Q8NHM5 2/20 0.35
SCN5A Q14524 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MCHR1 Q99705 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL14720467 0.82 HRH3 (0.34) HRH3MEN1KMT2ASRD5A2KDM2B
SCHEMBL14731165 0.81 HRH3 (0.33) HRH3MEN1KMT2ASRD5A2KDM2B
SCHEMBL14723074 0.81 HRH3 (0.37) HRH3MEN1KMT2ASRD5A2KDM2B
SCHEMBL14720608 0.78 HRH3 (0.43) HRH3SRD5A2MCHR1
SCHEMBL14720522 0.78 HRH3 (0.39) HRH3SRD5A2KDM2BMCHR1CHRM2
SCHEMBL14720518 0.77 HRH3 (0.46) HRH3
SCHEMBL14721067 0.77 SRD5A2 (0.42) HRH3SRD5A2KDM2B
SCHEMBL14722438 0.77 HRH3 (0.39) HRH3SRD5A2KDM2BMCHR1CHRM2
SCHEMBL14720465 0.76 HRH3 (0.36) HRH3
SCHEMBL14720720 0.76 SRD5A2 (0.58) HRH3SRD5A2

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 3 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 claimed
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