SCHEMBL10146026

SCHEMBL10146026

C=C(C)NCC1(NC)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL12848641 0.79 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20079201 0.70 SLC6A4 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL25530516 0.70 SLC6A4 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24920427 0.70 NPSR1 (0.37) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL422018 0.67
SCHEMBL419801 0.66 DPP4 (0.34)
SCHEMBL421003 0.66 DPP4 (0.34)
SCHEMBL420711 0.66 DPP4 (0.34)
SCHEMBL26514351 0.65 HTR3E (0.32) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL20038122 0.64

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-2415765-A1 PYRIMIDINE COMPOUND Astellas Pharma Inc. (JP) 2012-02-08 EP disclosed