SCHEMBL29741983

SCHEMBL29741983

CC1CN(C(=O)OC(C)(C)C)CCN1c1ccc([N+](=O)[O-])nc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.50
MAPT P10636 4/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
RAB9A P51151 1/20 0.46
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MET P08581 2/20 0.43
TP53 P04637 1/20 0.43
THRB P10828 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 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
SCHEMBL29731850 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL14924375 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL14925849 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL30512281 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL22802474 1.00 GPR119 (0.50) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL29741999 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL14924381 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL30578916 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL27965768 0.87 MAPT (0.47) GPR119MAPTLMNAALDH1A1RAB9A
SCHEMBL28855389 0.86 GPR119 (0.48) GPR119MAPTLMNAALDH1A1SMARCA2

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-4050012-A1 PYRIDONE BORONATES FOR THE PREPARATION OF INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-08-31 EP disclosed
EP-4019508-A1 HETEROARYL PYRIDONE AND AZA-PYRIDONE COMPOUNDS AS INHIBITORS OF BTK ACTIVITY F. Hoffmann-La Roche AG (CH) 2022-06-29 EP disclosed