SCHEMBL24895421

SCHEMBL24895421

CC(C)(C)OC(=O)N1CCC(n2c(=O)n(CCN3CCOCC3)c3cc(Cl)ccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.48
DRD2 P14416 1/20 0.48
SLC6A4 P31645 1/20 0.48
HSD11B1 P28845 1/20 0.44
CNR2 P34972 3/20 0.43
CTSS P25774 2/20 0.42
CNR1 P21554 1/20 0.42
MAPT P10636 1/20 0.42
UTS2R Q9UKP6 2/20 0.42
THRB P10828 2/20 0.42
USP30 Q70CQ3 1/20 0.42
LMNA P02545 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL24895884 0.90 MAPT (0.49) CYP3A4MAPTTHRBUSP30LMNA
SCHEMBL24895389 0.90 CYP3A4 (0.46) CYP3A4MAPTTHRBUSP30LMNA
SCHEMBL12919539 0.88 CYP3A4 (0.58) CYP3A4CNR2CNR1RECQL
SCHEMBL24895875 0.86 THRB (0.45) CYP3A4MAPTTHRBUSP30LMNA
SCHEMBL24895493 0.86 CYP3A4 (0.43) CYP3A4CNR1MAPTTHRBUSP30
SCHEMBL24895545 0.86 CYP3A4 (0.43) CYP3A4CNR1MAPTTHRBUSP30
SCHEMBL24895872 0.86 THRB (0.49) CYP3A4CNR2CNR1MAPTTHRB
SCHEMBL17803363 0.85 HSD11B1 (0.45) DRD2SLC6A4HSD11B1CTSSCNR1
SCHEMBL17803221 0.85 CTSS (0.52) DRD2SLC6A4HSD11B1CTSSCNR1
SCHEMBL24895558 0.84 DRD2 (0.57) CYP3A4DRD2SLC6A4CNR2CTSS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023284834-A1 PIPERIDINE DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREFOR, AND USE THEREOF 宜昌人福药业有限责任公司 2023-01-19 WO disclosed