SCHEMBL6272891

SCHEMBL6272891

COc1ccccc1CCN(C)C(C)=O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.61
MTNR1A P48039 2/20 0.56
MTNR1B P49286 2/20 0.56
MEN1 O00255 1/20 0.50
CRHBP P24387 1/20 0.50
KMT2A Q03164 1/20 0.50
CRHR2 Q13324 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
BCHE P06276 5/20 0.49
ACHE P22303 5/20 0.49
CHRM2 P08172 3/20 0.49
SIGMAR1 Q99720 2/20 0.49
CHRM1 P11229 1/20 0.49
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48

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
SCHEMBL23925502 0.87 AOC3 (0.61) AOC3MTNR1AMTNR1BMEN1CRHBP
SCHEMBL6272334 0.84 AOC3 (0.61) AOC3MTNR1AMTNR1BMEN1CRHBP
SCHEMBL8285804 0.82 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL2937482 0.79 AOC3 (0.73) AOC3TAAR1BCHECHRM2SIGMAR1
Hydrochloric Acid SCHEMBL8509376 0.78 AOC3 (0.71) AOC3TAAR1BCHECHRM2SIGMAR1
SCHEMBL31719788 0.77 TAAR1 (0.62) MTNR1AMTNR1BKMT2ATAAR1CDK4
SCHEMBL7568527 0.77 TSPO (0.61)
SCHEMBL30365164 0.76 MTNR1A (0.63) MTNR1AMTNR1BKMT2ATAAR1SIGMAR1
SCHEMBL266525 0.76 MTNR1A (0.63) MTNR1AMTNR1BKMT2ATAAR1SIGMAR1
SCHEMBL19399106 0.75 NPSR1 (0.44) MTNR1AMTNR1BMEN1CRHBPKMT2A

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-1608617-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2005-12-28 EP disclosed
WO-2004094363-A1 MUSCARINIC AGONISTS ELI LILLY AND COMPANY (US) 2004-11-04 WO disclosed