SCHEMBL29960099

SCHEMBL29960099

CC(C)(C)OC(=O)NCCC1CCOc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.45
MTNR1B P49286 11/20 0.45
SSTR4 P31391 1/20 0.43
KCNH2 Q12809 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
IDO1 P14902 1/20 0.39
DRD2 P14416 1/20 0.39
ACACB O00763 1/20 0.39
EPHX1 P07099 1/20 0.38
ABCB11 O95342 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL29960335 0.88 ACACB (0.44) SSTR4DRD2ACACB
SCHEMBL5231694 0.83 MTNR1A (0.58) MTNR1AMTNR1B
SCHEMBL29960014 0.78 KCNH2 (0.39) MTNR1AMTNR1BSSTR4KCNH2
SCHEMBL7986840 0.78 BRD4 (0.48) SSTR4
SCHEMBL29264385 0.78 BRD4 (0.48) SSTR4
SCHEMBL20438819 0.77 MTNR1A (0.40) MTNR1AMTNR1BMALT1IDO1DRD2
SCHEMBL9692344 0.75 SMN1; SMN2 (0.43) MTNR1AMTNR1BSSTR4KCNH2
SCHEMBL29960221 0.75 SSTR4 (0.39) SSTR4KCNH2
SCHEMBL29960154 0.75 HTR1A (0.42) MTNR1AMTNR1BSSTR4KCNH2
SCHEMBL8578244 0.75 IDO1 (0.46) IDO1

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-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed