SCHEMBL24631608

SCHEMBL24631608

CC(C)(C)OC(=O)NCC1Cc2ccccc2Oc2ccc(F)cc21

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.40
▸ RORC P51449 9/20 0.39
▸ MTNR1A P48039 3/20 0.38
▸ MTNR1B P49286 3/20 0.38
▸ NPY5R Q15761 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ ACACB O00763 2/20 0.37
▸ ACACA Q13085 1/20 0.36

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
SCHEMBL30134769 1.00 DRD2 (0.40) DRD2RORCMTNR1AMTNR1BNPY5R
SCHEMBL24631367 0.92 DRD2 (0.40) DRD2RORCMTNR1AMTNR1BNPY5R
SCHEMBL24631549 0.92 DRD2 (0.40) DRD2RORCMTNR1AMTNR1BNPY5R
SCHEMBL24631432 0.84 NPY5R (0.39) RORCNPY5RACACBACACA
SCHEMBL30134737 0.84 NPY5R (0.39) RORCNPY5RACACBACACA
SCHEMBL24631428 0.84 NPY5R (0.39) RORCNPY5RACACBACACA
SCHEMBL24631613 0.81 HTR2C (0.41) DRD2
SCHEMBL24631618 0.81 HTR2C (0.41) DRD2
SCHEMBL24631684 0.80 HTR2C (0.42) DRD2
SCHEMBL24631614 0.80 HTR2C (0.42) DRD2

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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