SCHEMBL20037523

SCHEMBL20037523

CC(C)NC1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.43
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HRH3 Q9Y5N1 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPY2R P49146 1/20 0.35
HRH4 Q9H3N8 4/20 0.35
CDK4 P11802 5/20 0.35
CDK6 Q00534 3/20 0.35
CYP1A2 P05177 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL20038053 0.83 HRH4 (0.41) OGAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL20255432 0.82 HRH4 (0.39) OGAMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL20249432 0.80 HRH4 (0.37) OGAMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL21917399 0.77 TRPV1 (0.48)
SCHEMBL25106007 0.75 CYP1A2 (0.57) OGASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL3826525 0.74 LMNA (0.43) OGAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3828733 0.74 CYP1A2 (0.46) OGAMEN1KMT2ASMN1; SMN2HRH3
SCHEMBL25104869 0.74 HRH4 (0.37) OGAHRH3HRH4
SCHEMBL31713990 0.74 HRH4 (0.37) OGAHRH3HRH4
SCHEMBL31714098 0.74 HRH4 (0.37) OGAHRH3HRH4

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