SCHEMBL693565

SCHEMBL693565

C1=CC2=CC=Cc3ccccc3N2C=C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SCN4A P35499 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
P2RX4 Q99571 3/20 0.31
P2RX1 P51575 2/20 0.31
P2RX3 P56373 2/20 0.31

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
SCHEMBL3732224 0.77 P2RX4 (0.35) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL19284163 0.74 MGLL (0.40) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL27881193 0.73
SCHEMBL21622972 0.71 AHR (0.42)
SCHEMBL10345865 0.70 HTT (0.31) LMNATSHRMAPK1P2RX4
SCHEMBL11498008 0.70
SCHEMBL6312853 0.70 LMNA (0.41) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL7414781 0.68 LMNA (0.35) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL1249107 0.68 MTNR1A (0.39) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL9030868 0.68 LMNA (0.35) LMNATSHRMAPK1SCN4ASCN5A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed
WO-2010124042-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2010-10-28 WO disclosed