SCHEMBL8409683

SCHEMBL8409683

CN(c1ncccc1NCC1CC1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
GPR119 Q8TDV5 9/20 0.46
BRD4 O60885 1/20 0.46
TGFBR1 P36897 5/20 0.45
GRIN2B Q13224 2/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL8409078 0.85 GPR119 (0.46) KDM4EPKMGPR119POLB
SCHEMBL8409489 0.84 GPR119 (0.47) KDM4EPKMGPR119POLB
SCHEMBL8409517 0.82 GPR119 (0.45) KDM4EPKMGPR119POLB
SCHEMBL8793652 0.82 GPR119 (0.45) GPR119POLB
SCHEMBL8406581 0.81 GPR119 (0.52) GPR119POLB
SCHEMBL3336117 0.78 GPR119 (0.54) GPR119POLB
SCHEMBL8409617 0.77 GPR119 (0.50) GPR119POLB
SCHEMBL3035919 0.75 GRIN2B (0.68) KDM4EPKMGPR119TGFBR1GRIN2B
SCHEMBL1307415 0.75 GPR119 (0.60) GPR119
SCHEMBL24380660 0.75 KDM4E (0.54) KDM4EPKMGPR119GRIN2B

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