SCHEMBL8053992

SCHEMBL8053992

c1ccc(Cc2nc(C3CCCCC3)oc2CN2CCc3c([nH]c4ccccc34)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ATM Q13315 2/20 0.48
GAA P10253 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
ACHE P22303 1/20 0.47
HTR1A P08908 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA1D P25100 1/20 0.47
ADRA1A P35348 1/20 0.47
ADRA1B P35368 1/20 0.47
RCE1 Q9Y256 1/20 0.46
DHFR P00374 1/20 0.46
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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 SCHEMBL8136531 0.94 HTR1A (0.47) MEN1KMT2AATMGAATRPV1
Fumaric Acid SCHEMBL8136526 0.94 HTR1A (0.47) MEN1KMT2AATMGAATRPV1
SCHEMBL8053407 0.86 MEN1 (0.47) MEN1KMT2AATMGAATRPV1
Hydrochloric Acid SCHEMBL8143284 0.85 MEN1 (0.46) MEN1KMT2AATMGAATRPV1
SCHEMBL7939820 0.74 DRD2 (0.57) MEN1KMT2AGAAHTR1ADRD2
SCHEMBL11884620 0.73 PDE5A (0.39) MEN1KMT2AGAA
SCHEMBL7939857 0.72 ALDH1A1 (0.47) MEN1KMT2AHTR1ADRD2
SCHEMBL7939803 0.70 CYP19A1 (0.37) MEN1KMT2AGAA
SCHEMBL8049534 0.70 MEN1 (0.58) MEN1KMT2AATMGAADRD2
SCHEMBL7933353 0.69 DRD4 (0.50) MEN1KMT2AHTR1ADRD2ADRA1D

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