SCHEMBL4440893

SCHEMBL4440893

COC(=O)Oc1cc2c(s1)C(C)CN(C)CC2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
SLC6A4 P31645 1/20 0.31
MET P08581 1/20 0.30
ALK Q9UM73 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
DRD1 P21728 3/20 0.30
DRD5 P21918 1/20 0.30

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
SCHEMBL4432464 0.87 DRD1 (0.33) CYP3A4CYP2D6SMN1; SMN2DRD1DRD5
SCHEMBL13372899 0.83 MAOA (0.39) MAOASMN1; SMN2DRD1
SCHEMBL4582601 0.80 ALDH1A1 (0.38) MAOAMAOBSLC6A4DRD1DRD5
SCHEMBL3308515 0.79 ALDH1A1 (0.42) SMN1; SMN2
SCHEMBL4431441 0.77 WDR91 (0.41) CYP2D6MAOAMAOBSLC6A4
SCHEMBL4432793 0.77 KCNN2 (0.34) SMN1; SMN2
SCHEMBL3304805 0.74 ALDH1A1 (0.41) SMN1; SMN2DRD1
SCHEMBL4431719 0.72 SLC6A2 (0.31) SLC6A4
SCHEMBL13560091 0.70 DRD1 (0.35) CYP3A4CYP2D6DRD1DRD5
SCHEMBL3307395 0.70 DRD1 (0.36) CYP2D6SLC6A4DRD1DRD5

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 3 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