SCHEMBL7846607

SCHEMBL7846607

CC(C)(C)OC(=O)NCCCc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.58
IDO1 P14902 1/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
LMNA P02545 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
BLM P54132 1/20 0.57
CTSL P07711 1/20 0.54
CTSS P25774 1/20 0.54
CTSK P43235 1/20 0.54
MTNR1A P48039 1/20 0.54
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CAMK2D Q13557 1/20 0.52
MMP9 P14780 1/20 0.52

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
SCHEMBL5745010 0.93 MEN1 (0.67) FAAHMEN1KMT2ACYP1A2CYP2C19
SCHEMBL18607541 0.90 MEN1 (0.68) MEN1KMT2ACYP1A2CYP2C19MTNR1A
SCHEMBL30561254 0.90 MEN1 (0.61) FAAHMEN1KMT2ACYP1A2CYP2C19
SCHEMBL22038251 0.90 MEN1 (0.61) FAAHMEN1KMT2ACYP1A2CYP2C19
SCHEMBL22038231 0.89 MTNR1A (0.60) MEN1KMT2AMTNR1A
SCHEMBL22038614 0.88 FAAH (0.51) FAAHIDO1MEN1KMT2ACYP1A2
SCHEMBL22039141 0.87 MAPT (0.61) FAAHMEN1KMT2ACYP1A2CYP2C19
SCHEMBL9797969 0.87 LMNA (0.53) MEN1KMT2ALMNACTSLCTSS
SCHEMBL30561257 0.87 MAPT (0.61) FAAHMEN1KMT2ACYP1A2CYP2C19
SCHEMBL22038232 0.87 MTNR1A (0.50) FAAHIDO1MEN1KMT2ACYP1A2

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
CN-1335845-A 3,4-dihydro-2H-benzo[1,4] oxazinyl-methyl [3-(1H-indol-3-yl)-alkyl]-amines AMERICAN HOME PROD (US) 2002-02-13 CN disclosed
EP-1071683-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2001-01-31 EP disclosed
WO-1999046264-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 1999-09-16 WO disclosed