SCHEMBL882763

SCHEMBL882763

CCCC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ccccc2)c1

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 13/20 0.70
L3MBTL1 Q9Y468 1/20 0.66
CHRNB2 P17787 1/20 0.62
CHRNB4 P30926 1/20 0.62
CHRNA3 P32297 1/20 0.62
CHRNA4 P43681 1/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 1/20 0.62
KDM4E B2RXH2 1/20 0.62
GAA P10253 1/20 0.62

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
SCHEMBL882806 0.83 F2R (1.00) F2RL3MBTL1ALDH1A1
SCHEMBL882721 0.83 F2R (1.00) F2RALDH1A1
SCHEMBL16101177 0.82 L3MBTL1 (0.74) L3MBTL1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL29766853 0.82 F2R (1.00) F2R
SCHEMBL882467 0.82 F2R (1.00) F2R
SCHEMBL882797 0.82 F2R (1.00) F2RHTTALDH1A1
SCHEMBL882809 0.82 F2R (1.00) F2RKDM4E
SCHEMBL10069466 0.81 F2R (0.82) F2RL3MBTL1HTTALDH1A1
SCHEMBL12383061 0.81 F2R (0.77) F2RALDH1A1KDM4EGAA
SCHEMBL882778 0.81 F2R (1.00) F2RL3MBTL1HTTALDH1A1

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
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
US-9422262-B2 Compounds and methods for treating diseases mediated by protease activated receptors THE BROAD INSTITUTE, INC. (US) 2016-08-23 US disclosed
WO-2012040636-A2 COMPOUNDS AND METHODS FOR TREATING DISEASES MEDIATED BY PROTEASE ACTIVATED RECEPTORS THE BROAD INSTITUTE, INC. (US) 2012-03-29 WO disclosed