SCHEMBL14712449

SCHEMBL14712449

Fc1cccc(F)c1Cn1nc2c(c1-c1ccc(Cl)cc1)CCN=NCC2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.40
NR1H3 Q13133 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
KCNK3 O14649 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP2A13 Q16696 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
SCHEMBL1477714 0.85 HTR2C (0.54) NR1H2NR1H3HTR2AHTR2CHTR2B
SCHEMBL4419012 0.80 KCNK3 (0.46) NR1H2NR1H3KMT2AKCNK3
SCHEMBL2075830 0.72 HTR2A (0.56) HTR2AHTR2CHTR2B
SCHEMBL3087986 0.69 NR1H2 (0.50) NR1H2NR1H3KMT2AMEN1ALDH1A1
SCHEMBL1407196 0.68 NR1H2 (0.75) NR1H2NR1H3KMT2AMEN1
SCHEMBL1476313 0.68 HTR2C (0.51) NR1H2NR1H3KCNK3HTR2AHTR2C
SCHEMBL2076319 0.68 HTR7 (0.73) KCNK3HTR2AHTR2CHTR2B
SCHEMBL1477936 0.68 HTR2C (0.53) HTR2AHTR2CHTR2B
SCHEMBL1475046 0.67 HTR2A (0.65) NR1H2NR1H3HTR2AHTR2CHTR2B
SCHEMBL1407811 0.66 NR1H2 (0.57) NR1H2NR1H3KMT2AMEN1ALDH1A1

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-1905774-B1 Fused heterocyclic compounds as serotonin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2013-02-20 EP disclosed