SCHEMBL20037544

SCHEMBL20037544

CN[C@@H]1CCN(c2ccc(C(C)C)nn2)C[C@@H]1F

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 10/20 0.40
HRH3 Q9Y5N1 2/20 0.37
NMT1 P30419 1/20 0.36
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20255186 0.82 NMT1 (0.37) HRH4HRH3NMT1
SCHEMBL20038177 0.82 NMT1 (0.37) HRH4NMT1CHRNB2CHRNB4CHRNA3
SCHEMBL20037484 0.82 NMT1 (0.37) HRH4HRH3NMT1
SCHEMBL20249316 0.80 HRH4 (0.40) HRH4HRH3NMT1CHRNB2CHRNB4
SCHEMBL20249337 0.80 HRH4 (0.40) HRH4HRH3NMT1CHRNB2CHRNB4
SCHEMBL22006820 0.73 NPC1 (0.50) HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL13467136 0.73 MAP4K4 (0.46) HRH4HRH3
SCHEMBL20046660 0.72 LMNA (0.37) HRH4HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL20255432 0.71 HRH4 (0.39) HRH4HRH3MEN1KMT2ASMN1; SMN2
SCHEMBL16131128 0.71 HRH3 (0.42) HRH4HRH3

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-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 EP disclosed