SCHEMBL11822338

SCHEMBL11822338

CC(C)/C(Cl)=N/c1ccc(Br)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

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
▸ EPHX1 P07099 1/20 0.38
▸ IDO1 P14902 6/20 0.38
▸ MAPT P10636 3/20 0.35
▸ HTT P42858 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ XBP1 P17861 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ DDR1 Q08345 1/20 0.33
▸ TMPRSS4 Q9NRS4 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
SCHEMBL11822345 1.00 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11826538 0.83 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11826530 0.83 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11827199 0.82 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11827201 0.82 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8410089 0.76 DHODH (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11835567 0.76 AR (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11835560 0.76 AR (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8410088 0.76 DHODH (0.35) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL8586278 0.71 MAPT (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
US-3965176-A ANTIANDROGENIC SCHERING CORPORATION (US) 1976-06-22 — — US disclosed
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