SCHEMBL20038030

SCHEMBL20038030

CNCCOc1ccc(I)nn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 4/20 0.43
HTR1D P28221 2/20 0.43
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
HRH1 P35367 2/20 0.36
SLC6A4 P31645 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL20255430 0.95 HTR1B (0.44) HTR1BHTR1DCHRNB2CHRNA4HRH1
SCHEMBL4591760 0.79 NPC1 (0.39) KDM4EALDH1A1LMNAGAATDP1
SCHEMBL256070 0.78 ACACB (0.36) KDM4EALDH1A1LMNAGAA
SCHEMBL256104 0.78 RAB9A (0.48) KDM4EALDH1A1LMNA
SCHEMBL18291293 0.77 HTR1B (0.42) HTR1BHTR1DCHRNB2CHRNA4HRH1
SCHEMBL20037638 0.76 KDM4E (0.42) HTR1BHTR1DCHRNB2CHRNA4HRH1
SCHEMBL20173484 0.76 KDM4E (0.42) HTR1BKDM4EGAA
SCHEMBL3299644 0.75 HTR7 (0.46) HTR1BCHRNB2CHRNA4KDM4E
SCHEMBL256106 0.75 ACACB (0.41) GAATDP1
SCHEMBL18291647 0.75 HTR1B (0.46) HTR1BHTR1DCHRNB2CHRNA4HRH1

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