SCHEMBL3470333

SCHEMBL3470333

CC(C)(C)OC(=O)N1CCC(O)(c2ccc(Cl)cc2)C1.Clc1ccc(Br)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
RORC P51449 3/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.44
STS P08842 1/20 0.43
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CCR1 P32246 1/20 0.42

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
SCHEMBL3695939 0.94 RORC (0.54) DRD2RORCCCR1
SCHEMBL655150 0.94 DRD2 (0.56) DRD2MEN1KMT2AKDM4ESTS
SCHEMBL19462827 0.87 RORC (0.50) DRD2RORCMEN1KMT2A
SCHEMBL1430196 0.87 RORC (0.50) DRD2RORCMEN1KMT2A
SCHEMBL557597 0.86 DRD2 (0.61) DRD2MEN1KMT2AKDM4ESTS
SCHEMBL1199600 0.86 RORC (0.51) DRD2RORCCCR1
SCHEMBL1983281 0.84 MEN1 (0.52) DRD2RORCMEN1KMT2ASTS
SCHEMBL569651 0.84 RORC (0.55) DRD2RORC
SCHEMBL31084071 0.84 MEN1 (0.52) DRD2RORCMEN1KMT2AKDM4E
SCHEMBL21837034 0.82 RORC (0.51) RORC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 WO disclosed