SCHEMBL20733337

SCHEMBL20733337

CCC(=O)N1CCc2ccc(C)cc21

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
XIAP P98170 1/20 0.62
BIRC2 Q13490 1/20 0.62
DRD2 P14416 1/20 0.58
DRD4 P21917 1/20 0.58
NOTUM Q6P988 2/20 0.53
MAPT P10636 5/20 0.52
TP53 P04637 1/20 0.52
TSHR P16473 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
PTPN11 Q06124 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL20204804 0.84 DRD2 (0.55) XIAPBIRC2DRD2DRD4NOTUM
SCHEMBL6960678 0.84 DRD2 (0.58) XIAPBIRC2DRD2DRD4NOTUM
SCHEMBL16301346 0.83 NOTUM (0.51) XIAPBIRC2DRD2DRD4NOTUM
SCHEMBL27559025 0.83 BRD4 (0.55) XIAPBIRC2DRD2DRD4NOTUM
SCHEMBL20204801 0.82 DRD2 (0.54) XIAPBIRC2DRD2DRD4NOTUM
SCHEMBL429841 0.82 NOTUM (0.76) XIAPBIRC2DRD2DRD4NOTUM
SCHEMBL26691238 0.81 NOTUM (0.55) XIAPBIRC2DRD2DRD4NOTUM
SCHEMBL22104629 0.81 XIAP (0.64) XIAPBIRC2NOTUMMAPTTP53
SCHEMBL13525164 0.79 KDM4E (0.66) NOTUMMAPTTP53TSHRMEN1
SCHEMBL5006023 0.79 TSHR (0.75) NOTUMMAPTTP53TSHRMEN1

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-2019032563-A1 INHIBITORS OF BASE EXCISION REPAIR ACTIVITY AND THERAPEUTIC METHODS BASED THEREON THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2019-02-14 WO disclosed