SCHEMBL8049534

SCHEMBL8049534

COc1ccccc1C1CCN(Cc2oc(C3CCCCC3)nc2Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
DRD2 P14416 2/20 0.49
GRM2 Q14416 1/20 0.49
DRD4 P21917 1/20 0.47
ATM Q13315 1/20 0.47
MAPK1 P28482 1/20 0.46
NR3C1 P04150 1/20 0.44
NR3C2 P08235 1/20 0.44
CHRM4 P08173 1/20 0.44
OPRM1 P35372 1/20 0.43
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41

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
Fumaric Acid SCHEMBL8051620 0.93 MEN1 (0.51) MEN1KMT2ADRD2GRM2DRD4
Fumaric Acid SCHEMBL8051623 0.93 MEN1 (0.51) MEN1KMT2ADRD2GRM2DRD4
SCHEMBL7933353 0.86 DRD4 (0.50) MEN1KMT2ADRD2DRD4MAPK1
SCHEMBL8038873 0.84 MEN1 (0.59) MEN1KMT2ADRD2GRM2DRD4
Hydrochloric Acid SCHEMBL8038700 0.83 MEN1 (0.58) MEN1KMT2ADRD2GRM2DRD4
SCHEMBL7939817 0.80 MAPK1 (0.56) MEN1KMT2ADRD2DRD4MAPK1
SCHEMBL7940912 0.77 MAPT (0.47) MEN1KMT2ADRD2DRD4MAPK1
SCHEMBL7939857 0.77 ALDH1A1 (0.47) MEN1KMT2ADRD2DRD4
SCHEMBL11884620 0.75 PDE5A (0.39) MEN1KMT2AMAPK1POLBGAA
SCHEMBL7939803 0.72 CYP19A1 (0.37) MEN1KMT2AMAPK1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053235-A1 OXAZOLE DERIVATIVES AS SEROTONIN-1A RECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-22 EP claimed
US-6057340-A Oxazole derivatives as serotonin-1A receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-02 US claimed
WO-1999038864-A1 OXAZOLE DERIVATIVES AS SEROTONIN-1A RECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-05 WO claimed
EP-1053235-A1 OXAZOLE DERIVATIVES AS SEROTONIN-1A RECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-11-22 EP disclosed
US-6057340-A Oxazole derivatives as serotonin-1A receptor agonists AMERICAN HOME PRODUCTS CORPORATION (US) 2000-05-02 US disclosed
WO-1999038864-A1 OXAZOLE DERIVATIVES AS SEROTONIN-1A RECEPTOR AGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-08-05 WO disclosed