SCHEMBL20009411

SCHEMBL20009411

CNc1nnc(Cl)cc1N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.45
ADRB1 P08588 5/20 0.41
HTR3E A5X5Y0 2/20 0.40
HTR3B O95264 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3D Q70Z44 2/20 0.40
HTR3C Q8WXA8 2/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
CHRNB2 P17787 2/20 0.38
CHRNA4 P43681 2/20 0.38
ADRB2 P07550 2/20 0.38
NCF1 P14598 1/20 0.38
HTR1A P08908 3/20 0.37
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37

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
SCHEMBL30282824 0.78 BPTF (0.51) BPTFADRB1HTR3EHTR3BHTR3A
SCHEMBL195203 0.78 BPTF (0.51) BPTFADRB1HTR3EHTR3BHTR3A
SCHEMBL22959766 0.76 SMARCA2 (0.54) BPTFADRB1HTR3EHTR3BHTR3A
SCHEMBL195335 0.76 BPTF (0.49) BPTFADRB1HTR3EHTR3BHTR3A
SCHEMBL31065028 0.76 SMARCA2 (0.54) BPTFADRB1HTR3EHTR3BHTR3A
SCHEMBL195388 0.75 BPTF (0.45) BPTFADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL23037272 0.74 SMARCA2 (0.52) BPTFADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL23037230 0.74 BPTF (0.47) BPTFADRB1HTR3EHTR3BHTR3A
Hydrochloric Acid SCHEMBL516604 0.74 BPTF (0.44) BPTFADRB1HTR3EHTR3BHTR3A
SCHEMBL28846377 0.73 HTR3A (0.36) HTR3A

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed