SCHEMBL19636592

SCHEMBL19636592

C=C1C(=C)[C@@H](N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.55
MCHR1 Q99705 1/20 0.51
TAS2R14 Q9NYV8 2/20 0.51
CNR1 P21554 3/20 0.50
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
NR3C1 P04150 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
POLB P06746 1/20 0.46

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
SCHEMBL28183374 1.00 CNR2 (0.55) CNR2MCHR1TAS2R14CNR1TSHR
SCHEMBL19636714 0.86 CNR2 (0.59) CNR2MCHR1TAS2R14CNR1ALDH1A1
SCHEMBL19636583 0.84 LMNA (0.54) CNR2TAS2R14CNR1TSHRALDH1A1
SCHEMBL28184248 0.84 LMNA (0.54) CNR2TAS2R14CNR1TSHRALDH1A1
SCHEMBL19636459 0.83 CNR2 (0.50) CNR2MCHR1TAS2R14CNR1TSHR
SCHEMBL28184190 0.79 TRPM8 (0.43) CNR2HTTALDH1A1LMNANPSR1
SCHEMBL28183371 0.79 CNR2 (0.41) CNR2LMNANPSR1
SCHEMBL19636447 0.79 MAPK1 (0.44) MCHR1TSHRNR3C1ALDH1A1POLB
SCHEMBL21835092 0.77 CNR2 (0.65) CNR2MCHR1TAS2R14CNR1TSHR
SCHEMBL2958329 0.76 CNR2 (0.57) CNR2MCHR1TAS2R14CNR1

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
WO-2017197670-A1 METHOD FOR SYNTHESIZING 1,2-DIMETHYLENE CYCLOBUTANE CHIRAL COMPOUND 中国科学院福建物质结构研究所 2017-11-23 WO disclosed