SCHEMBL1040926

SCHEMBL1040926

Cc1nc(-c2ccc(Cl)cc2)nn1CCC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LATS1 O95835 1/20 0.40
AAK1 Q2M2I8 5/20 0.38
NR1H3 Q13133 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
PTGER1 P34995 2/20 0.36
DRD2 P14416 1/20 0.36
BRD4 O60885 1/20 0.36
NR1H2 P55055 1/20 0.36
CYP2C9 P11712 1/20 0.35
F2 P00734 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL5708297 0.91 LATS1 (0.41) LATS1AAK1NR1H3MAPTALDH1A1
SCHEMBL1040782 0.89 LATS1 (0.42) LATS1AAK1MAPTBRD4F2
SCHEMBL3049145 0.88 NR1H3 (0.44) NR1H3MAPTALDH1A1POLBNR1H2
SCHEMBL1039822 0.83 LATS1 (0.36) LATS1AAK1BRD4
SCHEMBL3049884 0.81 GRM5 (0.38) LATS1AAK1BRD4RAB9A
SCHEMBL4020084 0.78 RAB9A (0.44) NR1H3MAPTALDH1A1POLBNR1H2
SCHEMBL13596187 0.78 NR1H3 (0.49) NR1H3MAPTALDH1A1POLBNR1H2
SCHEMBL3051245 0.77 TP53 (0.41) MAPTALDH1A1POLBF2RAB9A
SCHEMBL1039938 0.76 CTSL (0.43) LATS1MAPTALDH1A1BRD4CYP2C9
SCHEMBL13076689 0.76 NR1H3 (0.45) NR1H3MAPTALDH1A1POLBNR1H2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2051714-B1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-04-13 EP disclosed
EP-1853596-B1 NOVEL, LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
EP-2057152-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
EP-2051714-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES Boehringer Ingelheim International GmbH (DE) 2009-04-29 EP disclosed
WO-2008017637-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed
WO-2008017638-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed