SCHEMBL30503556

SCHEMBL30503556

CN(C)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
TACR1 P25103 2/20 0.35
ACP1 P24666 1/20 0.34
SLC6A4 P31645 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
AR P10275 2/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
P2RX1 P51575 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.32
TSHR P16473 1/20 0.31
AURKA O14965 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.31
SLC2A1 P11166 1/20 0.30
CES2 O00748 1/20 0.30
XPO1 O14980 1/20 0.30

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
SCHEMBL6815372 1.00 NOTUM (0.43) NOTUMTACR1ACP1SLC6A4S1PR1
SCHEMBL7694014 0.84 TACR1 (0.43) TACR1S1PR1P2RX1TSHRAURKA
SCHEMBL1410175 0.78 NOTUM (0.47) NOTUMTACR1ACP1TAS2R14P2RX1
SCHEMBL1409680 0.78 NOTUM (0.41) NOTUMTACR1ACP1TAS2R14P2RX1
SCHEMBL12436182 0.77 NOTUM (0.46) NOTUMTACR1ACP1TAS2R14P2RX1
SCHEMBL14092975 0.77 GABRA1 (0.39) TACR1P2RX1TSHRAURKACES2
SCHEMBL14228532 0.77 RAPGEF4 (0.40) NOTUMTACR1TAS2R14P2RX1GPBAR1
SCHEMBL1082212 0.77 NOTUM (0.50) NOTUMACP1S1PR1S1PR3TAS2R14
SCHEMBL21201333 0.77 ALDH1A1 (0.42) TSHRAURKA
SCHEMBL131138 0.77 NOTUM (0.50) NOTUMACP1S1PR1S1PR3TAS2R14

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
CN-116323557-A Cyclobutylamide monoacylglycerol lipase modulators 詹森药业有限公司 2023-06-23 CN disclosed