SCHEMBL23715878

SCHEMBL23715878

CC(C)/C=C(Br)\C=N/CCc1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.41
▸ HTR3B O95264 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ HTR3D Q70Z44 1/20 0.41
▸ HTR3C Q8WXA8 1/20 0.41
▸ MIF P14174 1/20 0.38
▸ C3AR1 Q16581 2/20 0.36
▸ TAAR1 Q96RJ0 4/20 0.36
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ CA12 O43570 1/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CTDSP1 Q9GZU7 1/20 0.34
▸ MEN1 O00255 1/20 0.33

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
SCHEMBL20708183 0.68 AOC3 (0.42) TAAR1GAAALDH1A1SLC6A2SLC6A3
SCHEMBL28055725 0.67 TAAR1 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23716113 0.66 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11267260 0.65 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8402355 0.65 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2693873 0.62 TAAR1 (0.44) TAAR1GAASLC6A2SLC6A3AOC3
SCHEMBL21175025 0.61 TAAR1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10585881 0.61 TAAR1 (0.47) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL9818220 0.60 KCNH2 (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8402342 0.60 TAAR1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C

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-3209732-B1 SPHINGOSINE-1-PHOSPATE RECEPTOR MODULATORS FOR TREATMENT OF CARDIOPULMONARY DISORDERS SCRIPPS RESEARCH INST (US) 2021-08-04 — — EP disclosed
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