SCHEMBL882775

SCHEMBL882775

CCCC(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F2R P25116 12/20 1.00
▸ KCNK3 O14649 3/20 0.67
▸ KCNK9 Q9NPC2 3/20 0.67
▸ PTGS1 P23219 1/20 0.63
▸ RXFP1 Q9HBX9 2/20 0.58
▸ PTGES O14684 1/20 0.57

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
SCHEMBL882809 0.83 F2R (1.00) F2R
SCHEMBL23367946 0.82 F2R (0.70) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL882772 0.82 F2R (1.00) F2RKCNK3KCNK9RXFP1
SCHEMBL882806 0.82 F2R (1.00) F2RKCNK3KCNK9
SCHEMBL882721 0.82 F2R (1.00) F2R
SCHEMBL882797 0.81 F2R (1.00) F2RKCNK3KCNK9
SCHEMBL882467 0.81 F2R (1.00) F2R
SCHEMBL29766853 0.81 F2R (1.00) F2R
SCHEMBL12764065 0.80 KCNK3 (0.83) F2RKCNK3KCNK9PTGS1RXFP1
SCHEMBL16553649 0.80 KCNK3 (0.70) F2RKCNK3KCNK9PTGS1RXFP1

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
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