SCHEMBL19445337

SCHEMBL19445337

CC[C@@H]1C[C@@H](c2ccc(F)c(F)c2)C1C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
HTR2C P28335 2/20 0.57
HTR2B P41595 2/20 0.57
KDM1A O60341 10/20 0.41
MAOB P27338 2/20 0.39
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 2/20 0.37
KDM1B Q8NB78 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL20202736 0.88 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL23993624 0.88 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL13192766 0.76 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL808663 0.76 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL20202734 0.76 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL20997590 0.76 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL808747 0.76 HTR2A (0.55) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL28511905 0.74 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL28511907 0.74 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1AMAOB
SCHEMBL23995530 0.73 HTR2A (0.49) HTR2AHTR2CHTR2BKDM1ASLC6A4

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
EP-2985286-B1 MIDBODY OF TICAGRELOR AND PREPARATION METHOD THEREFOR, AND PREPARATION METHOD FOR TICAGRELOR JIANGSU HENGRUI MEDICINE CO (CN) 2017-10-11 EP disclosed