SCHEMBL20202736

SCHEMBL20202736

CCC1C[C@H]1c1ccc(F)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.67
HTR2C P28335 6/20 0.67
HTR2B P41595 6/20 0.67
KDM1A O60341 9/20 0.44
SLC6A4 P31645 3/20 0.43
MAOB P27338 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KCNH2 Q12809 2/20 0.40
KDM1B Q8NB78 1/20 0.40

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
SCHEMBL23993624 1.00 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL19445337 0.88 HTR2A (0.57) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL23993627 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL22334917 0.84 KDM1A (0.60) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL1907436 0.84 HTR2C (0.53) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL23995530 0.84 HTR2A (0.49) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL23995528 0.82 HTR2C (0.47) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL22335111 0.82 HTR2C (0.46) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL28511905 0.81 HTR2A (0.67) HTR2AHTR2CHTR2BKDM1ASLC6A4
SCHEMBL28511907 0.81 HTR2A (0.67) 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
US-20180148745-A1 HEMOPROTEIN CATALYSTS FOR IMPROVED ENANTIOSELECTIVE ENZYMATIC SYNTHESIS OF TICAGRELOR CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-05-31 US disclosed