SCHEMBL21893552

SCHEMBL21893552

c1ccc(-c2c3c(nn2-c2ccccc2)CNCC3)cc1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.81
HTR2A P28223 6/20 0.81
HTR2B P41595 6/20 0.81
ALDH1A1 P00352 1/20 0.41
MAPK10 P53779 1/20 0.41
PTGS2 P35354 3/20 0.39
PTGS1 P23219 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PRCP P42785 1/20 0.38

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
SCHEMBL1475300 0.90 HTR2A (1.00) HTR2CHTR2AHTR2BALDH1A1MAPK10
SCHEMBL2075189 0.88 HTR2A (0.81) HTR2CHTR2AHTR2BALDH1A1MAPK10
SCHEMBL1476190 0.81 HTR2A (0.82) HTR2CHTR2AHTR2BALDH1A1
SCHEMBL1475799 0.81 HTR2A (0.82) HTR2CHTR2AHTR2BPTGS2PTGS1
SCHEMBL1476015 0.81 HTR2A (0.82) HTR2CHTR2AHTR2B
SCHEMBL1475759 0.81 HTR2A (0.82) HTR2CHTR2AHTR2BPTGS2PTGS1
SCHEMBL21818664 0.81 HTR2C (0.56) HTR2CHTR2AHTR2B
SCHEMBL21819191 0.78 HTR2C (0.82) HTR2CHTR2AHTR2B
SCHEMBL1476430 0.78 HTR2A (0.76) HTR2CHTR2AHTR2BALDH1A1PTGS2
SCHEMBL1476390 0.78 HTR2C (0.76) HTR2CHTR2AHTR2BCYP1A2CYP2C9

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-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed