SCHEMBL8408098

SCHEMBL8408098

CC(C)Nc1cccnc1N(C1CC1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.47
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL8409489 0.90 GPR119 (0.47) GPR119POLBNPC1ALDH1A1MAPT
SCHEMBL8406542 0.79 GPR119 (0.50) GPR119POLBALDH1A1MAPT
SCHEMBL8793643 0.77 POLB (0.54) GPR119POLB
SCHEMBL29741439 0.77 POLB (0.54) GPR119POLB
Ammonia Solution, Strong SCHEMBL9371185 0.76 POLB (0.53) GPR119POLB
SCHEMBL8409078 0.74 GPR119 (0.46) GPR119POLB
SCHEMBL8409683 0.74 KDM4E (0.48) GPR119POLB
SCHEMBL8793652 0.74 GPR119 (0.45) GPR119POLB
SCHEMBL8409517 0.74 GPR119 (0.45) GPR119POLB
SCHEMBL8406581 0.74 GPR119 (0.52) GPR119POLB

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