SCHEMBL6581249

SCHEMBL6581249

CC(C)(C)OC(=O)N1CCN(NC(=O)c2ccc(Oc3ccc(C(=O)NN4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.48
CYP2C19 P33261 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CYP2D6 P10635 1/20 0.45
STS P08842 2/20 0.44
GPR119 Q8TDV5 3/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL21819347 0.88 GPR119 (0.55) S1PR2SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL21819487 0.87 KMT2A (0.64) SMN1; SMN2LMNAMAPTKMT2AALDH1A1
SCHEMBL6785203 0.87 CYP2D6 (0.62) S1PR2SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL13872055 0.82 KMT2A (0.68) S1PR2SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL21819310 0.81 KMT2A (0.54) S1PR2SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL7502665 0.78 STS (0.53) SMN1; SMN2LMNAKMT2AMEN1CYP2C19
SCHEMBL28089023 0.77 KMT2A (0.58) S1PR2SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL3216576 0.76 HPGDS (0.54) MAPTALDH1A1KDM4EPKM
SCHEMBL29268519 0.75 SMN1; SMN2 (0.67) S1PR2SMN1; SMN2LMNAMAPTKMT2A
SCHEMBL21819472 0.73 STS (0.52) SMN1; SMN2MAPTKMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1060175-B1 TRYPTASE INHIBITORS MAX PLANCK GESELLSCHAFT (DE) 2004-11-17 EP disclosed
US-6613769-B1 Incubating samples with enzyme inhibitors, then determining complexes formed; medical diagnosis; therapy for allergies and inflammation Max-Planck-Gesellschaft zur Föderung der Wissenschaften. e.V. (DE) 2003-09-02 US disclosed
US-6489327-B1 TREATING A DISEASE SUSCEPTIBLE TO TRYPTASE INHIBITION SUCH AS ASTHMA, INFLAMMATORY BOWEL DISEASE, PSORIASIS OR RHINITIS MAX-PLANCK-GESELLSCHAFT ZUR FORDRUNGDER WISENSCHAFTEN, E.V. (DE) 2002-12-03 US disclosed
EP-1060175-A2 TRYPTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-12-20 EP disclosed
EP-1060171-A2 TRYPTASE INHIBITORS Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2000-12-20 EP disclosed
WO-1999040083-A2 BIFUNCTIONAL TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 WO disclosed
WO-1999040073-A2 TRYPTASE INHIBITORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1999-08-12 WO disclosed