SCHEMBL27717376

SCHEMBL27717376

Cc1ccc(C)n1-c1nc(Cl)cc(N2CCN(C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 3/20 0.49
▸ HTR3E A5X5Y0 2/20 0.49
▸ HTR3B O95264 2/20 0.49
▸ HTR3D Q70Z44 2/20 0.49
▸ HTR3C Q8WXA8 2/20 0.49
▸ HRH4 Q9H3N8 5/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9202114 0.84 HRH4 (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL28650816 0.80 KMT2A (0.36) KMT2A
SCHEMBL15956636 0.78 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL3878600 0.77 HTT (0.44) KMT2AKDM4E
SCHEMBL2336863 0.76 HRH4 (0.66) HTR3AHTR3EHTR3BHTR3DHTR3C
Aethimidinum SCHEMBL29352989 0.75 CASP1 (0.50) HRH4NPSR1KMT2A
SCHEMBL13525376 0.74 HTR3A (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL4806161 0.73 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL1024211 0.73 HRH4 (0.70) HRH4KMT2A
SCHEMBL3167172 0.73 HTR3A (0.59) HTR3AHTR3EHTR3BHTR3DHTR3C

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
CN-101277951-A 2-aminopyrimidine derivatives as modulators of the histamine H4 receptor activity PALAU PHARMA SA (ES) 2008-10-01 — — CN disclosed
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