SCHEMBL23716113

SCHEMBL23716113

C=C(F)/C=C(Cl)\C=N/CCc1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ MIF P14174 1/20 0.39
▸ TAAR1 Q96RJ0 4/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ PDPK1 O15530 1/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ CA9 Q16790 2/20 0.35
▸ C3AR1 Q16581 1/20 0.35
▸ LMNA P02545 1/20 0.33
▸ IGF1R P08069 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ RXFP3 Q9NSD7 6/20 0.31

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
SCHEMBL8402355 0.66 HTR3E (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23715878 0.66 HTR3E (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL12696324 0.63 TAAR1 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8964685 0.62 IDO1 (0.44) TAAR1ALDH1A1LMNA
SCHEMBL11267260 0.62 HTR3E (0.57) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8402342 0.61 TAAR1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL2135113 0.60 TAAR1 (0.68) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3067898 0.59 TAAR1 (0.70) TAAR1ALDH1A1GAACA12CA1
SCHEMBL3067896 0.59 TAAR1 (0.70) TAAR1ALDH1A1GAACA12CA1
SCHEMBL9774960 0.58 LMNA (0.47) TAAR1ALDH1A1LMNA

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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