SCHEMBL6753585

SCHEMBL6753585

CC(=O)N(C)C1CC1c1ccc(F)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
KDM1A O60341 13/20 0.40
DPP4 P27487 1/20 0.39
DPP8 Q6V1X1 1/20 0.39
DPP9 Q86TI2 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
MAOB P27338 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
SCHEMBL6753587 1.00 HTR2A (0.42) HTR2AHTR2CHTR2BKDM1ADPP4
SCHEMBL8329899 0.79 KDM1A (0.50) KDM1ADPP4DPP8DPP9DPP7
SCHEMBL8333596 0.78 SLC9A1 (0.47) HTR2AHTR2CHTR2B
SCHEMBL7003744 0.77 DRD2 (0.42)
SCHEMBL8331070 0.76 HTR2C (0.44) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL7002740 0.76 MAOA (0.51) HTR2CKDM1AMAOB
SCHEMBL8330435 0.75 KDM1A (0.49) HTR2AHTR2CHTR2BKDM1A
SCHEMBL18272444 0.74 SLC9A1 (0.47) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL20202735 0.74 SLC9A1 (0.47) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL6753602 0.74 KDM1A (0.49) HTR2CKDM1AMAOB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713483-B1 TREATING PLATELET AGGREGATION DISORDER ASTRAZENECA AB (SE) 2004-03-30 US disclosed
EP-1232156-B1 [1,2,3]-TRIAZOLO[4,5-d]PYRIMIDINE DERIVATIVES AS ANTI-THROMBOTIC AGENTS ASTRAZENECA AB (SE) 2003-06-04 EP disclosed