SCHEMBL4564285

SCHEMBL4564285

COC(=O)Oc1ccc2c(c1)CN(C)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 3/20 0.43
DRD5 P21918 2/20 0.43
MMP8 P22894 2/20 0.39
MMP3 P08254 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ACACB O00763 1/20 0.38
ABHD6 Q9BV23 2/20 0.38
NAMPT P43490 2/20 0.37
ACHE P22303 1/20 0.37
NOTUM Q6P988 1/20 0.37
RYR2 Q92736 1/20 0.37

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
SCHEMBL4563167 0.83 DRD1 (0.42) DRD1DRD5ESR1ESR2DRD2
SCHEMBL4440526 0.80 LIPE (0.42) MMP8MMP3MMP2MMP9MMP14
SCHEMBL8126590 0.78 OPRK1 (0.54) DRD3ACACB
SCHEMBL3902560 0.77 DRD1 (0.65) DRD1DRD5DRD2DRD3RYR2
SCHEMBL6890994 0.77 POLB (0.54)
SCHEMBL7336195 0.77 PPARG (0.53)
SCHEMBL4563610 0.75 ITGB3 (0.42) MMP2MMP9MMP14RYR2
SCHEMBL29715895 0.73 NAMPT (0.50) ACACBNAMPT
SCHEMBL3308449 0.73 NAMPT (0.50) ACACBNAMPT
SCHEMBL4057707 0.73 DRD1 (0.52) DRD1DRD5DRD2DRD3

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-2132193-B1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INT (DE) 2012-10-24 EP disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed
EP-1975165-A1 Substituted pyrrolidinamides, their production and utilisation as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2008-10-01 EP disclosed