SCHEMBL3267299

SCHEMBL3267299

CO[C@@H]1C[C@H](C(=O)N2CCN(Cc3cccc4cc(C(=O)O)n(C)c34)CC2)N(C)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.37
PARP1 P09874 2/20 0.35
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MTNR1B P49286 1/20 0.34
CD274 Q9NZQ7 2/20 0.34
LMNA P02545 2/20 0.34
FAAH O00519 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL3267302 0.89 HRH3 (0.36) HRH3PARP1KDM4EALDH1A1MEN1
SCHEMBL3264462 0.88 FAAH (0.35) HRH3PARP1KDM4EALDH1A1MEN1
SCHEMBL3264483 0.88 FAAH (0.35) HRH3PARP1KDM4EALDH1A1MEN1
SCHEMBL3266877 0.88 FAAH (0.35) HRH3PARP1KDM4EALDH1A1MEN1
SCHEMBL3232196 0.88 FAAH (0.35) HRH3PARP1KDM4EALDH1A1MEN1
SCHEMBL3267160 0.84 FAAH (0.38) KDM4EALDH1A1MEN1KMT2AMTNR1B
SCHEMBL690572 0.83 RORC (0.40) KDM4EALDH1A1MEN1KMT2AMTNR1B
SCHEMBL689275 0.82 EPHX2 (0.42) KDM4EALDH1A1MEN1KMT2AFAAH
SCHEMBL690228 0.82 EPHX2 (0.42) KDM4EALDH1A1MEN1KMT2AFAAH
SCHEMBL3228834 0.82 EPHX2 (0.42) KDM4EALDH1A1MEN1KMT2AFAAH

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