SCHEMBL7080048

SCHEMBL7080048

CC(C)(C)OC(=O)ON1CCC(c2cnc(OCc3nc(-c4ccccc4Cl)no3)nc2)C(OCc2ccc3ccccc3c2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.41
FFAR1 O14842 1/20 0.40
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
ADORA2B P29275 1/20 0.35
KMT2A Q03164 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33

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
SCHEMBL7077232 0.92 REN (0.50) RENFFAR1CASP3SENP8SENP7
SCHEMBL6043140 0.86 REN (0.46) RENFFAR1CASP3SENP8SENP7
SCHEMBL7079998 0.83 REN (0.62) RENFFAR1CASP3SENP8SENP7
SCHEMBL7080785 0.81 REN (0.51) RENKMT2ARAB9A
SCHEMBL12434688 0.81 FFAR1 (0.42) FFAR1CASP3SENP8SENP7SENP6
SCHEMBL7078091 0.81 REN (0.64) RENFFAR1KMT2AGPR119
SCHEMBL7080728 0.80 REN (0.49) RENFFAR1RAB9A
SCHEMBL7075025 0.80 REN (0.52) RENGPR119RAB9A
SCHEMBL7082590 0.80 REN (0.60) REN
SCHEMBL7081341 0.79 REN (0.51) RENFFAR1GPR119RAB9A

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-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP disclosed
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO disclosed