SCHEMBL20031020

SCHEMBL20031020

COc1ccc(C2CN(C)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.51
GAA P10253 1/20 0.51
ADRA1A P35348 1/20 0.49
KDM1A O60341 2/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
MAPK1 P28482 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
KAT2B Q92831 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
SCHEMBL13416043 0.85 DRD2 (0.59) DRD2ALDH1A1KMT2AMEN1
SCHEMBL27314351 0.84 KDM1A (0.50) DRD2ALDH1A1KMT2AGAAADRA1A
SCHEMBL27314354 0.84 KDM1A (0.50) DRD2ALDH1A1KMT2AGAAADRA1A
SCHEMBL13416035 0.82 ALDH1A1 (0.53) DRD2ALDH1A1KMT2AMEN1
SCHEMBL31268666 0.82 ADRA1A (0.47) DRD2ALDH1A1KMT2AGAAADRA1A
SCHEMBL4403006 0.80 DRD2 (0.68) DRD2ALDH1A1GAAL3MBTL1
SCHEMBL25004291 0.79 ADRA1A (0.45) DRD2ALDH1A1KMT2AGAAADRA1A
SCHEMBL1515026 0.78 DRD2 (0.59) DRD2ALDH1A1KMT2AADRA1AKDM1A
SCHEMBL11714356 0.78 KDM1A (0.59) DRD2ALDH1A1KMT2AADRA1AKDM1A
SCHEMBL12227833 0.78 KDM1A (0.59) DRD2ALDH1A1KMT2AADRA1AKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519385-B1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LTD (GB) 2020-11-18 EP disclosed
WO-2018060689-A1 CYANOPYRROLIDINE DERIVATIVES WITH ACTIVITY AS INHIBITORS OF USP30 MISSION THERAPEUTICS LIMITED (GB) 2018-04-05 WO disclosed