SCHEMBL18923764

SCHEMBL18923764

Cc1cccc(CCN2CCCCCCCCCCC2)c1

nearest known ligand 0.97

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.97
SLC6A3 Q01959 3/20 0.63
SIGMAR1 Q99720 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.55
DRD2 P14416 1/20 0.51
SLC6A4 P31645 1/20 0.51
POLB P06746 1/20 0.50
HRH1 P35367 1/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL14426314 1.00 HRH3 (0.97) HRH3SLC6A3SIGMAR1L3MBTL1KDM4E
SCHEMBL14426311 0.98 HRH3 (1.00) HRH3SLC6A3SIGMAR1L3MBTL1KDM4E
SCHEMBL13148674 0.90 HRH3 (0.79) HRH3SLC6A3SIGMAR1L3MBTL1KDM4E
SCHEMBL10196667 0.88 HRH3 (0.81) HRH3SLC6A3SIGMAR1L3MBTL1KDM4E
SCHEMBL12880000 0.86 HRH3 (0.78) HRH3SLC6A3SIGMAR1L3MBTL1KDM4E
SCHEMBL12879708 0.83 HRH3 (0.73) HRH3SLC6A3SIGMAR1SLC6A4POLB
SCHEMBL30853791 0.83 HRH3 (0.73) HRH3SLC6A3SIGMAR1SLC6A4POLB
SCHEMBL12021982 0.83 HRH3 (0.73) HRH3SLC6A3SIGMAR1L3MBTL1POLB
SCHEMBL12854 0.82 HRH3 (0.67) HRH3KDM4E
SCHEMBL29447423 0.82 HRH3 (0.67) HRH3KDM4E

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
US-9670165-B2 SIK inhibitor for use in a method of treating an inflammatory and/or immune disorder DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-06 US disclosed