SCHEMBL6532599

SCHEMBL6532599

C[C@@H](NC(=O)c1ccc(C(=O)N2CCCCC2CCN(C)C)c(Cl)c1)c1nc2cc(Cl)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.43
TDP1 Q9NUW8 1/20 0.41
SYK P43405 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
PRCP P42785 4/20 0.37
GRM5 P41594 2/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX12 P18054 1/20 0.36
APOBEC3A P31941 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
HCRTR1 O43613 1/20 0.35
GAA P10253 1/20 0.34
PYGL P06737 1/20 0.34
TP53 P04637 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
SCHEMBL5096635 1.00 HSD11B1 (0.43) HSD11B1TDP1SYKL3MBTL1KDM4E
SCHEMBL3000802 0.91 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL4239498 0.91 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL6523977 0.91 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5110954 0.90 HSD11B1 (0.46) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5111124 0.90 HSD11B1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5097380 0.89 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5111110 0.89 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5100460 0.89 HSD11B1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA
SCHEMBL5103745 0.88 TDP1 (0.42) HSD11B1TDP1L3MBTL1KDM4ELMNA

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
EP-1575925-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2005-09-21 EP disclosed
WO-2004056784-A1 NOVEL CARBOXAMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-08 WO disclosed