SCHEMBL9700591

SCHEMBL9700591

COCOCCc1cc(OC)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.41
SLC6A4 P31645 13/20 0.41
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
IDO1 P14902 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
SCHEMBL500774 0.85 IDO1 (0.41) HTR1ASLC6A4ADRA1ATAAR1HTR2A
SCHEMBL7551792 0.84 ADRA1A (0.48) HTR1ASLC6A4ADRA1ATAAR1HTR2A
SCHEMBL10053221 0.81 L3MBTL1 (0.37) HTR1ASLC6A4TAAR1HTR2A
SCHEMBL7478730 0.80 NOS3 (0.38) HTR1ASLC6A4HTR2AIDO1
SCHEMBL500012 0.80 HTR2A (0.36) HTR1ASLC6A4HTR2AHTR2C
SCHEMBL17330013 0.79 HTR1A (0.45) HTR1ASLC6A4ADRA1ATAAR1HTR2A
SCHEMBL15376943 0.79 HTR1A (0.45) HTR1ASLC6A4ADRA1ATAAR1HTR2A
SCHEMBL989673 0.77 TAAR1 (0.66) HTR1ASLC6A4ADRA1ATAAR1HTR2A
SCHEMBL12428735 0.77 HTR1A (0.44) HTR1ASLC6A4ADRA1ATAAR1HTR2A
SCHEMBL6401187 0.77 CYP2D6 (0.51) HTR1ASLC6A4ADRA1ATAAR1HTR2A

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-0496548-A1 Carbacyclin analogs PURDUE RESEARCH FOUNDATION (US) 1992-07-29 EP disclosed