SCHEMBL4640447

SCHEMBL4640447

CC(N)(O)Cc1c[nH]c2cc(F)ccc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 3/20 0.59
▸ HTR2A P28223 4/20 0.57
▸ HTR1A P08908 2/20 0.51
▸ HTR2C P28335 1/20 0.47
▸ MPO P05164 4/20 0.45
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ HTR6 P50406 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TDO2 P48775 2/20 0.42
▸ TSHR P16473 1/20 0.41

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
SCHEMBL4601849 0.88 MPO (0.60) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL9263226 0.88 GPR84 (0.63) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL12633102 0.84 GPR84 (0.67) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL3003807 0.83 GPR84 (0.54) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL3003809 0.83 GPR84 (0.54) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL14663588 0.80 GPR84 (0.69) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL5643971 0.79 GPR84 (0.55) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL3009547 0.77 GPR84 (0.46) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL31415125 0.76 HTR2A (0.75) GPR84HTR2AHTR1AHTR2CMPO
SCHEMBL6846117 0.76 GPR84 (0.73) GPR84HTR2AHTR1AHTR2CMPO

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-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 — — EP disclosed
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