SCHEMBL18964945

SCHEMBL18964945

OBc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ HTR3D Q70Z44 1/20 0.47
▸ HTR3C Q8WXA8 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ IDO1 P14902 2/20 0.43
▸ PDK1 Q15118 1/20 0.42
▸ NPFFR2 Q9Y5X5 3/20 0.41
▸ NPFFR1 Q9GZQ6 2/20 0.41
▸ NOTUM Q6P988 8/20 0.41
▸ LMNA P02545 1/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.39
▸ GRM4 Q14833 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL22146212 0.85 HTR3E (0.34) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL18964856 0.78 MPL (0.37) NOTUMGRM4
SCHEMBL8042030 0.73 HSD17B10 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29642223 0.72 TRPV1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL364052 0.72 TRPV1 (0.54) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL22509494 0.72 RAPGEF4 (0.34) RAPGEF4
SCHEMBL19523877 0.72 AR (0.56) —
SCHEMBL2698021 0.72 NOTUM (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29649700 0.72 IDO1 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL987352 0.72 IDO1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 — — EP disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 — — WO disclosed
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