SCHEMBL7433803

SCHEMBL7433803

CCCn1c(=O)c2[nH]c([C@H]3CC[C@H]4CCC[C@H]43)nc2n(CCC)c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.67
ADORA2A P29274 6/20 0.67
ADORA2B P29275 6/20 0.67
ADORA3 P0DMS8 2/20 0.67
MEN1 O00255 1/20 0.67
GMNN O75496 1/20 0.67
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
TSHR P16473 1/20 0.67
PMP22 Q01453 1/20 0.67
KMT2A Q03164 1/20 0.67
HIF1A Q16665 1/20 0.67

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
SCHEMBL7433085 1.00 ADORA1 (0.67) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7433081 1.00 ADORA1 (0.67) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7433279 0.90 ADORA1 (0.54) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9562387 0.88 ADORA2B (0.74) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9562389 0.88 ADORA2B (0.74) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7432088 0.85 ADORA1 (0.67) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL7432084 0.85 ADORA1 (0.67) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9562437 0.83 ADORA2B (0.56) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL9562434 0.83 ADORA2B (0.56) ADORA1ADORA2AADORA2BADORA3MEN1
SCHEMBL14080833 0.83 ADORA1 (0.64) ADORA1ADORA2AADORA2BADORA3MEN1

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-0415456-B1 Xanthine compounds KYOWA HAKKO KOGYO KK (JP) 1996-06-26 EP disclosed
US-5525607-A DIURETICS, BRONCHODILATORS, RENAL PROTECTING AGENTS KYOWA HAKKO KOGYO CO., LTD (JP) 1996-06-11 US disclosed