SCHEMBL3237369

SCHEMBL3237369

CN1CCC[C@@H]1C(=O)N1CCC(Cc2cccc3cc(OC(=O)O)n(C)c23)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.38
JAK2 O60674 2/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
WNT3 P56703 1/20 0.35
SFRP1 Q8N474 1/20 0.35
CTSS P25774 3/20 0.35
MGLL Q99685 2/20 0.35
EPHX2 P34913 1/20 0.34
CCNT1 O60563 1/20 0.34

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
SCHEMBL3261353 1.00 JAK1 (0.38) JAK1JAK2TYK2JAK3WNT3
SCHEMBL689276 0.88 EPHX2 (0.43) EPHX2
SCHEMBL3228839 0.88 EPHX2 (0.43) EPHX2
SCHEMBL690229 0.88 EPHX2 (0.43) EPHX2
SCHEMBL3261348 0.86 WNT3 (0.39) JAK1JAK2TYK2JAK3WNT3
SCHEMBL3237364 0.86 WNT3 (0.39) JAK1JAK2TYK2JAK3WNT3
SCHEMBL3267163 0.82 EPHX2 (0.37) EPHX2
SCHEMBL3269248 0.79 JAK2 (0.41) JAK1JAK2TYK2JAK3
SCHEMBL689747 0.77 MAPK14 (0.45)
SCHEMBL690416 0.77 MAPK14 (0.45)

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
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO claimed
WO-2010026096-A1 7-(PIPERAZINE-1-YMETHYL)-1H-INDOLE-2-CARBOXYLIC ACID (PHENYL)-AMIDE DERIVATIVES AND ALLIED COMPOUNDS AS P38 MAP KINASE INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-11 WO disclosed