SCHEMBL20037531

SCHEMBL20037531

CC(C)OC(=O)N1CCN(c2ccc(I)nn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 3/20 0.46
GPR119 Q8TDV5 11/20 0.44
HRH3 Q9Y5N1 2/20 0.44
OGA O60502 1/20 0.44
AAK1 Q2M2I8 1/20 0.41
DGAT1 O75907 1/20 0.40

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
SCHEMBL20255261 0.85 L3MBTL1 (0.49) PANK3GPR119HRH3OGA
SCHEMBL20037519 0.82 MAP4K4 (0.49) PANK3OGA
SCHEMBL20249437 0.82 GPR119 (0.45) PANK3GPR119HRH3AAK1DGAT1
SCHEMBL16427561 0.81 GPR119 (0.57) GPR119
SCHEMBL20037518 0.80 BPTF (0.56) OGA
SCHEMBL3827722 0.78 KDM4E (0.43) PANK3OGA
SCHEMBL3301419 0.77 CKS1B (0.54) GPR119
SCHEMBL20255262 0.73 OGA (0.58) HRH3OGA
SCHEMBL20037669 0.73 PANK3 (0.48) PANK3
SCHEMBL28903886 0.72 AAK1 (0.62) GPR119AAK1DGAT1

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