SCHEMBL3671476

SCHEMBL3671476

Brc1cccc(CCN2CCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
HRH3 Q9Y5N1 7/20 0.42
SLC6A3 Q01959 2/20 0.42
SIGMAR1 Q99720 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP3A4 P08684 1/20 0.39
MBTD1 Q05BQ5 1/20 0.37
L3MBTL3 Q96JM7 1/20 0.37
PARP1 P09874 1/20 0.37

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
SCHEMBL3675615 0.97 HRH3 (0.46) FAAHHRH3SLC6A3SIGMAR1L3MBTL1
SCHEMBL839038 0.77 FAAH (0.53) FAAHHRH3TDP1CYP2D6
SCHEMBL19461950 0.76 LTA4H (0.48) HRH3SIGMAR1L3MBTL1TDP1
SCHEMBL12666994 0.76 CXCR4 (0.54) HRH3SLC6A3SIGMAR1L3MBTL1TDP1
SCHEMBL13940602 0.74 FAAH (0.51) FAAHTDP1PARP1
SCHEMBL6434949 0.74 KDM1A (0.41) FAAHPARP1
SCHEMBL18971805 0.72 FAAH (0.38) FAAHTDP1PARP1
SCHEMBL30786223 0.72 SLC6A3 (0.42) HRH3SLC6A3SIGMAR1L3MBTL1TDP1
SCHEMBL1022831 0.71 KCNH2 (0.40) FAAHTDP1PARP1
SCHEMBL5253618 0.71 FAAH (0.54) FAAHTDP1

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
EP-2166846-A1 INHIBITORS OF JANUS KINASES Merck Sharp & Dohme Corp. (US) 2010-03-31 EP disclosed
WO-2008156726-A1 INHIBITORS OF JANUS KINASES MERCK & CO., INC. (US) 2008-12-24 WO disclosed