SCHEMBL8409488

SCHEMBL8409488

CC(C)CN(c1ncccc1[N+](=O)[O-])C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 15/20 0.46
NR1D1 P20393 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
MET P08581 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
SCHEMBL8792106 0.86 GPR119 (0.46) GPR119NR1D1POLBALDH1A1LMNA
SCHEMBL8409617 0.85 GPR119 (0.50) GPR119POLBALDH1A1LMNAMAPT
SCHEMBL8406542 0.85 GPR119 (0.50) GPR119POLBALDH1A1LMNAMAPT
SCHEMBL8791648 0.78 GPR119 (0.40) GPR119
SCHEMBL20306597 0.78 GPR119 (0.44) GPR119NR1D1ALDH1A1LMNAMAPT
SCHEMBL8791227 0.78 CTSB (0.45) ALDH1A1LMNAMAPT
SCHEMBL1420930 0.77 GPR119 (0.52) GPR119POLBALDH1A1LMNAMAPT
SCHEMBL30392767 0.76 GPR119 (0.51) GPR119POLBALDH1A1MET
SCHEMBL14334348 0.76 GPR119 (0.51) GPR119POLBALDH1A1MET
SCHEMBL14335007 0.75 GPR119 (0.53) GPR119POLBALDH1A1LMNAMAPT

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-5866589-A Alkyl substituted piperadinyl and piperazinyl anti-AIDS compounds PHARMACIA & UPJOHN COMPANY (US) 1999-02-02 US disclosed
EP-0797576-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1997-10-01 EP disclosed
WO-1996018628-A1 ALKYL SUBSTITUTED PIPERADINYL AND PIPERAZINYL ANTI-AIDS COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 1996-06-20 WO disclosed