SCHEMBL874635

SCHEMBL874635

COc1cnc(-c2cccc3c2C[C@H](N)CO3)cn1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 10/20 0.52
SCN5A Q14524 7/20 0.49
KCNH2 Q12809 6/20 0.49
CNR1 P21554 1/20 0.49
FFAR1 O14842 1/20 0.33
TYK2 P29597 1/20 0.33
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
DRD1 P21728 1/20 0.32
HTR1B P28222 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
KDM1A O60341 1/20 0.32

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
SCHEMBL841203 0.83 SCN9A (0.46) SCN9ASCN5AKCNH2
SCHEMBL12503905 0.79 SCN9A (0.67) SCN9ASCN5AKCNH2CNR1
SCHEMBL841025 0.78 SCN9A (0.49) SCN9ASCN5AKCNH2
SCHEMBL841511 0.78 SCN9A (0.35) SCN9ASCN5AKCNH2CNR1HTR1A
SCHEMBL841410 0.78 SSTR2 (0.40) SCN9ASCN5AKCNH2
Ammonia Solution, Strong SCHEMBL3668899 0.77 SCN9A (0.49) SCN9ASCN5AKCNH2
SCHEMBL882619 0.77 SCN9A (0.67) SCN9ASCN5AKCNH2CNR1
Ammonia Solution, Strong SCHEMBL3674445 0.77 SSTR2 (0.39) SCN9ASCN5AKCNH2
Ammonia Solution, Strong SCHEMBL3673475 0.77 SCN9A (0.35) SCN9ASCN5AKCNH2CNR1HTR1A
SCHEMBL841453 0.76 ELANE (0.37) SCN9AHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 WO claimed
WO-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 WO disclosed
WO-2012039657-A1 NOVEL CHROMANE COMPOUND FOR THE TREATMENT OF PAIN DISORDERS ASTRAZENECA AB (SE) 2012-03-29 WO disclosed