SCHEMBL3763386

SCHEMBL3763386

CCc1nccn1C(C)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
BRD4 O60885 2/20 0.45
OPRD1 P41143 4/20 0.43
OPRK1 P41145 2/20 0.43
MET P08581 2/20 0.40
CYP2D6 P10635 1/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ABCB11 O95342 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL20508884 1.00 MEN1 (0.45) MEN1HPGDKMT2AHSD17B10BRD4
SCHEMBL16136368 0.78 FPR2 (0.48) BRD4OPRD1OPRK1CYP1A2CYP3A4
Efetozole SCHEMBL2109012 0.77 BRD4 (0.51) MEN1HPGDKMT2AHSD17B10BRD4
Efetozole SCHEMBL21698044 0.77 BRD4 (0.51) MEN1HPGDKMT2AHSD17B10BRD4
SCHEMBL4077931 0.76 MAPT (0.35) ALDH1A1
SCHEMBL18516672 0.76 POLB (0.40) MEN1KMT2AHSD17B10OPRD1OPRK1
SCHEMBL11431373 0.76 BRD4 (0.38) MEN1HPGDKMT2AHSD17B10BRD4
SCHEMBL28292973 0.76 OPRD1 (0.43) MEN1HPGDKMT2AHSD17B10BRD4
SCHEMBL28780266 0.76 ALDH1A1 (0.47) MEN1HPGDKMT2AHSD17B10BRD4
Efetozole SCHEMBL10996922 0.76 BRD4 (0.50) MEN1HPGDKMT2AHSD17B10BRD4

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
EP-2451779-A2 ETOMIDATE ANALOGUES THAT DO NOT INHIBIT ADRENOCORTICAL STEROID SYNTHESIS The General Hospital Corporation (US) 2012-05-16 EP disclosed