SCHEMBL3724009

SCHEMBL3724009

COc1ccc2c(n1)N(c1ccc3c(c1)CC[CH]C3)C(=O)CN2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30
OPRL1 P41146 1/20 0.30

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
SCHEMBL3724011 0.83 GAA (0.33) GAAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL3024862 0.77 CA1 (0.39) HTR2C
SCHEMBL3016030 0.69 KCNH2 (0.36)
SCHEMBL3724329 0.69 KDM4C (0.31)
SCHEMBL3723353 0.68 CYP1A2 (0.42) ALDH1A1
SCHEMBL3020288 0.68 RIPK1 (0.36) HTR2CMAPK1
SCHEMBL3016282 0.65
SCHEMBL3023008 0.64 HTR2C (0.32) HTR2C
SCHEMBL1149585 0.60 GAA (0.51) GAAHTR2AHTR2CHTR2BALDH1A1
SCHEMBL334990 0.60 OPRL1 (0.41) HTR2AHTR2CHTR2BOPRL1

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-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed