SCHEMBL7467443

SCHEMBL7467443

O=C(O)c1cccc(OCc2nc(C3CC3)cs2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 10/20 0.50
MRGPRX4 Q96LA9 6/20 0.48
GPBAR1 Q8TDU6 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.44
NR4A1 P22736 2/20 0.44
NR4A3 Q92570 2/20 0.44
CPT2 P23786 1/20 0.43
CPT1A P50416 1/20 0.43
CPT1B Q92523 1/20 0.43

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
SCHEMBL7473175 0.95 NR4A2 (0.48) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL7472699 0.95 NR4A2 (0.48) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL7471030 0.94 NR4A2 (0.47) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL7478013 0.81 PPARD (0.58) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL5708664 0.80 MAOA (0.48) NPC1RAB9A
SCHEMBL7470170 0.78 NR4A2 (0.56) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL5708655 0.77 MAOA (0.47) NPC1RAB9AKMT2A
SCHEMBL7477308 0.74 GRM2 (0.43) MRGPRX4CPT2CPT1ACPT1B
SCHEMBL9721952 0.72 NR4A2 (0.61) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1
SCHEMBL7475391 0.70 NR4A2 (0.50) NR4A2MRGPRX4GPBAR1CYSLTR1NPC1

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-0786457-B1 AZOLE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2002-05-29 EP disclosed
US-5981559-A USEFUL IN PREVENTING OR TREATING ALLERGIC DISEASES, ISCHEMIC HEART DISEASES OR ISCHEMIC BRAIN DISEASES YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1999-11-09 US disclosed
EP-0786457-A1 AZOLE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-30 EP disclosed