SCHEMBL6650899

SCHEMBL6650899

Cc1cc2nc3cccc(C#N)c3n2c(N2CC3CCCNC3C2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.37
HTR3A P46098 1/20 0.36
CHRNB2 P17787 3/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
CHRNA4 P43681 3/20 0.33
DPP4 P27487 2/20 0.32
KDM1A O60341 2/20 0.32
USP30 Q70CQ3 1/20 0.31
RET P07949 1/20 0.30
SSTR2 P30874 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL6650904 0.77 HTR3A (0.36) HRH4HTR3ADPP4KDM1A
SCHEMBL6319564 0.74 ALDH1A1 (0.47) SMN1; SMN2NPSR1
SCHEMBL6320019 0.66 HRH4 (0.34) HRH4HTR3ADPP4KDM1A
SCHEMBL604702 0.61 HRH4 (0.59) HRH4DPP4
SCHEMBL17198089 0.61 BPTF (0.51) HRH4HTR3ACHRNB2CHRNB4CHRNA3
SCHEMBL602330 0.60 HRH4 (0.56) HRH4HTR3ADPP4
Hydrochloric Acid SCHEMBL602958 0.60 HRH4 (0.58) HRH4DPP4
SCHEMBL602797 0.60 HRH4 (0.67) HRH4HTR3A
Hydrochloric Acid SCHEMBL605480 0.60 HRH4 (0.56) HRH4HTR3ADPP4
Hydrochloric Acid SCHEMBL6532118 0.60 HRH4 (0.44) HRH4HTR3ADPP4KDM1A

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-1479681-A1 IMIDAZO(1,2-a)PYRIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-24 EP disclosed