SCHEMBL21894375

SCHEMBL21894375

Cn1nc2c(c1-c1cccc(OC(F)(F)F)c1)CCNC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.47
HTR2A P28223 2/20 0.47
HTR2B P41595 2/20 0.47
DYRK1A Q13627 4/20 0.41
CLK2 P49760 1/20 0.41
HASPIN Q8TF76 1/20 0.41
USP7 Q93009 1/20 0.41
KCNH2 Q12809 3/20 0.40
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
SCN10A Q9Y5Y9 1/20 0.38
PIM1 P11309 1/20 0.38
HTR6 P50406 1/20 0.38
SLC5A1 P13866 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
SCHEMBL21893925 0.87 PDE4B (0.39) HTR2CHTR2AHTR2BHTR6
SCHEMBL21894372 0.86 CD274 (0.45) HTR2CHTR2AHTR2BHTR6
SCHEMBL21893457 0.83 HTR2A (0.41) HTR2CHTR2AHTR2B
SCHEMBL21893446 0.83 ASIC3 (0.49) HTR2CHTR2AHTR2B
SCHEMBL21818995 0.81 HTR7 (0.48) HTR2CHTR2AHTR2B
SCHEMBL29935808 0.79 HTR7 (0.49) HTR2CHTR2AHTR2B
SCHEMBL21819177 0.78 KCNH2 (0.41) HTR2CHTR2AHTR2BDYRK1ACLK2
SCHEMBL21819180 0.78 KCNH2 (0.41) HTR2CHTR2AHTR2BDYRK1ACLK2
SCHEMBL31133389 0.78 KCNH2 (0.41) HTR2CHTR2AHTR2BDYRK1ACLK2
SCHEMBL21818664 0.78 HTR2C (0.56) HTR2CHTR2AHTR2B

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