SCHEMBL6327965

SCHEMBL6327965

CCCC(CNC=O)Oc1ccc(C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6326788 0.84 KMT2A (0.35) TAS1R3TAS1R1PPARGPPARALMNA
SCHEMBL6325580 0.81 TAS1R3 (0.44) SMN1; SMN2TDP1TAS1R3TAS1R1
SCHEMBL12890020 0.71 SMN1; SMN2 (0.61) SMN1; SMN2TDP1MEN1KMT2ANPC1
SCHEMBL5075721 0.67 DRD2 (0.59) SMN1; SMN2LMNAGAAMAPTMEN1
SCHEMBL5073490 0.66 DRD2 (0.61) SMN1; SMN2LMNAGAAMAPTMEN1
SCHEMBL20324712 0.65 ESR1 (0.40) SMN1; SMN2TAS1R3TAS1R1PPARGPPARA
SCHEMBL16976332 0.65 RHEB (0.36) SMN1; SMN2PPARGPPARAGAAL3MBTL1
SCHEMBL13245939 0.65 SMN1; SMN2 (0.49) SMN1; SMN2TDP1TAS1R3TAS1R1PPARG
SCHEMBL3991808 0.65 PPARG (0.52) SMN1; SMN2PPARGPPARAMAPTMEN1
Formic Acid SCHEMBL5073487 0.64 DRD2 (0.55) SMN1; SMN2TDP1LMNAGAAMAPT

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-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 WO disclosed