SCHEMBL24631670

SCHEMBL24631670

CC(C)(C)OC(=O)NCC1Cc2ccccc2Oc2cccnc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 6/20 0.41
▸ ACACA Q13085 4/20 0.41
▸ DRD2 P14416 1/20 0.41
▸ FNTA P49354 2/20 0.41
▸ FNTB P49356 2/20 0.41
▸ NAMPT P43490 4/20 0.39
▸ CKS1B P61024 1/20 0.38
▸ SKP1 P63208 1/20 0.38
▸ SKP2 Q13309 1/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ CXCR4 P61073 1/20 0.37
▸ BCHE P06276 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35

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
SCHEMBL24631674 1.00 ACACB (0.41) ACACBACACADRD2FNTAFNTB
SCHEMBL30134766 1.00 ACACB (0.41) ACACBACACADRD2FNTAFNTB
SCHEMBL30134764 1.00 ACACB (0.41) ACACBACACADRD2FNTAFNTB
SCHEMBL24631682 0.88 ACACB (0.38) ACACBACACADRD2FNTAFNTB
SCHEMBL24631457 0.88 ACACB (0.38) ACACBACACADRD2FNTAFNTB
SCHEMBL30134829 0.88 ACACB (0.38) ACACBACACADRD2FNTAFNTB
SCHEMBL24631671 0.86 ACACB (0.42) ACACBACACADRD2NAMPTCKS1B
SCHEMBL24631455 0.86 ACACB (0.43) ACACBACACADRD2FNTAFNTB
SCHEMBL24631462 0.86 ACACB (0.42) ACACBACACADRD2NAMPTCKS1B
SCHEMBL24631825 0.86 ACACB (0.43) ACACBACACADRD2FNTAFNTB

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-2022217265-A1 TAAR1 AND SEROTONIN MODULATORS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 — — WO disclosed
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