SCHEMBL186884

SCHEMBL186884

CC(C)(C)OC(=O)ON1CCC(O)(c2ccc(Cl)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.59
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 3/20 0.44
OPRL1 P41146 2/20 0.44
SLC18A3 Q16572 1/20 0.44
ADRA1A P35348 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR3 P51677 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
SCHEMBL187383 0.85 DRD2 (0.45) DRD2KMT2AMEN1OPRM1
SCHEMBL373688 0.84 DRD2 (0.45) DRD2KMT2AMEN1OPRM1
SCHEMBL6248313 0.82 GPR119 (0.45) DRD2KMT2AMEN1LMNATSHR
SCHEMBL373745 0.82 DRD2 (0.43) DRD2KMT2AMEN1OPRM1
SCHEMBL557597 0.81 DRD2 (0.61) DRD2KMT2AMEN1MAPTKDM4E
SCHEMBL6950592 0.81 KMT2A (0.44) DRD2KMT2AMEN1MAPTALDH1A1
SCHEMBL652370 0.77 MEN1 (0.58) DRD2KMT2AMEN1MAPTKDM4E
SCHEMBL655150 0.76 DRD2 (0.56) DRD2KMT2AMEN1MAPTKDM4E
SCHEMBL29111308 0.75 DRD2 (0.56) DRD2KMT2AMEN1OPRM1OPRL1
SCHEMBL15543779 0.74 MAPT (0.55) DRD2KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2400962-B1 Medicinal combinations containing PDE4 inhibitors and NSAIDS BOEHRINGER INGELHEIM INT (DE) 2017-11-08 EP disclosed
EP-2555774-B1 Medicine combinations containing pde4 inhibitors and ep4 receptor antagonists BOEHRINGER INGELHEIM INT (DE) 2015-10-21 EP disclosed
EP-2400962-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097334-A1 DRUG COMBINATIONS CONTAINING PDE4 INHIBITORS AND NSAIDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed