SCHEMBL2227703

SCHEMBL2227703

Cc1ccc(-n2nc(C)c(C(=O)N3CCC(N4CCCC4)CC3c3c(C)nn(-c4ccc(C)c(C(F)(F)F)c4)c3C)c2C)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UGCG Q16739 2/20 0.39
TACR1 P25103 9/20 0.38
GPBAR1 Q8TDU6 1/20 0.36
AR P10275 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
CYP3A4 P08684 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
PDE4D Q08499 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL2203254 0.84 L3MBTL3 (0.46) UGCGL3MBTL3L3MBTL1
SCHEMBL2231585 0.83 TACR1 (0.40) TACR1GPBAR1CYP3A4SIGMAR1PDE4D
Hydrochloric Acid SCHEMBL2227825 0.81 KMT2A (0.39) TACR1GPBAR1L3MBTL3L3MBTL1MAPT
SCHEMBL2227154 0.79 FFAR4 (0.38) UGCGTACR1
SCHEMBL2230182 0.77 TACR1 (0.42) TACR1POLB
SCHEMBL2229019 0.73 TACR1 (0.40) TACR1POLB
SCHEMBL2203140 0.71 ALKBH5 (0.49) ARL3MBTL1MAPTPDE4DPOLB
SCHEMBL2201747 0.70 KMT2A (0.47) L3MBTL3L3MBTL1POLB
SCHEMBL2199963 0.70 PDE4D (0.62) GPR119L3MBTL1PDE4D
SCHEMBL2201429 0.69 KMT2A (0.46) L3MBTL3L3MBTL1POLB

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed