SCHEMBL7405772

SCHEMBL7405772

COC(=O)CCn1c(=O)ncc2cc(OC)ccc21

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.51
P2RX3 P56373 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
PDE3B Q13370 3/20 0.43
PDE3A Q14432 3/20 0.43
PDE2A O00408 2/20 0.43
P2RY12 Q9H244 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
KMO O15229 1/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40

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
SCHEMBL7414631 0.90 DYRK1A (0.54) DYRK1AP2RX3MTNR1AMTNR1BPDE3B
SCHEMBL10741293 0.83 DYRK1A (0.38) DYRK1AP2RX3PDE3BPDE3APDE2A
SCHEMBL7457148 0.82 CTNNB1 (0.47) P2RX3MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL7408633 0.80 DYRK1A (0.55) DYRK1AP2RX3KDM4EALDH1A1HPGD
SCHEMBL7412859 0.77 DYRK1A (0.64) DYRK1AP2RX3KDM4EALDH1A1HPGD
SCHEMBL7414967 0.76 DYRK1A (0.47) DYRK1AP2RX3MTNR1AMTNR1BKDM4E
SCHEMBL11863365 0.75 GRIN1 (0.50) PDE3BPDE3A
SCHEMBL19148282 0.74 MTNR1A (0.64) MTNR1AMTNR1BL3MBTL1ALDH1A1HPGD
SCHEMBL7409652 0.74 DYRK1A (0.54) DYRK1AP2RX3MTNR1AMTNR1BKDM4E
SCHEMBL11186683 0.73 FPR1 (0.43) DYRK1AMTNR1AMTNR1BL3MBTL1KDM4E

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
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed