SCHEMBL3394336

SCHEMBL3394336

FC(F)(F)c1nc(-c2cccnc2)nc2c1CCNC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP1 O94782 2/20 0.43
WDR48 Q8TAF3 2/20 0.43
HTR2C P28335 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2B P41595 1/20 0.39
HTT P42858 3/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
ALOX15 P16050 2/20 0.37
GBA1 P04062 1/20 0.37
CYP1A2 P05177 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
Hydrochloric Acid SCHEMBL1262796 0.99 USP1 (0.42) USP1WDR48HTR2CHTR2AHTR2B
SCHEMBL1967019 0.86 HTR2C (0.51) HTR2CHTR2AHTR2BHTTCYP3A4
Hydrochloric Acid SCHEMBL1262177 0.85 HTR2C (0.50) HTR2CHTR2AHTR2BHTTCYP3A4
SCHEMBL3419388 0.85 PSD (0.42) HTR2CHTR2AHTR2BCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL1261370 0.84 PSD (0.41) HTR2CHTR2AHTR2BCYP3A4CYP2C9
SCHEMBL3392016 0.81 HTR2C (0.44) HTR2CHTR2AHTR2BSMN1; SMN2KDM4E
SCHEMBL3388287 0.80 HTR2C (0.53) HTR2CHTR2AHTR2B
Hydrochloric Acid SCHEMBL1260880 0.80 HTR2C (0.43) HTR2CHTR2AHTR2BSMN1; SMN2KDM4E
SCHEMBL4391037 0.79 HTR2C (0.41) HTR2CHTR2AHTR2BHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1262699 0.79 HTR2A (0.52) HTR2CHTR2AHTR2B

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-1863812-B1 DIPEPTIDYL PEPTIDASE-IV INHIBITING COMPOUNDS, METHODS OF PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AS AN ACTIVE AGENT LG LIFE SCIENCES LTD (KR) 2010-07-14 EP disclosed