SCHEMBL882797

SCHEMBL882797

CCCC(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2R P25116 12/20 1.00
ALDH1A1 P00352 2/20 0.78
HTT P42858 1/20 0.67
LMNA P02545 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
KCNK3 O14649 1/20 0.64
KCNK9 Q9NPC2 1/20 0.64
NPC1 O15118 1/20 0.62
RAB9A P51151 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
SCHEMBL10069468 0.92 F2R (0.85) F2RALDH1A1HTTKCNK3KCNK9
SCHEMBL882742 0.91 F2R (1.00) F2RALDH1A1HTT
SCHEMBL882806 0.85 F2R (1.00) F2RALDH1A1SMN1; SMN2KCNK3KCNK9
SCHEMBL882721 0.85 F2R (1.00) F2RALDH1A1
SCHEMBL882467 0.84 F2R (1.00) F2R
SCHEMBL29766853 0.84 F2R (1.00) F2R
SCHEMBL882809 0.84 F2R (1.00) F2RLMNASMN1; SMN2NPC1RAB9A
SCHEMBL882791 0.83 KCNK3 (0.75) F2RALDH1A1SMN1; SMN2KCNK3KCNK9
SCHEMBL10975643 0.82 F2R (0.73) F2RALDH1A1RAB9A
SCHEMBL10069479 0.82 KCNK3 (0.77) F2RKCNK3KCNK9

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