SCHEMBL23825779

SCHEMBL23825779

CC(C)(C)OC(=O)N[C@H]1CC[C@H](CNc2cc(C(=O)O)ccc2Br)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 7/20 0.42
▸ KDM1A O60341 2/20 0.42
▸ MAOB P27338 1/20 0.42
▸ ACACB O00763 3/20 0.41
▸ ACACA Q13085 3/20 0.41
▸ DRD3 P35462 1/20 0.39
▸ CRHR1 P34998 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CREBBP Q92793 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ LIPC P11150 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ KCNA3 P22001 1/20 0.38
▸ TTK P33981 1/20 0.37

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
SCHEMBL23825840 0.86 KDM1A (0.46) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL23825838 0.86 KDM1A (0.46) DRD2KDM1AMAOBKMT2AL3MBTL1
SCHEMBL23827000 0.81 KDM4E (0.56) KMT2A
SCHEMBL23826798 0.81 CRHR1 (0.54) DRD2KDM1AMAOBACACBACACA
SCHEMBL23826796 0.81 CRHR1 (0.54) DRD2KDM1AMAOBACACBACACA
SCHEMBL23826504 0.80 KDM1A (0.41) DRD2KDM1AMAOBCRHR1KMT2A
SCHEMBL2392456 0.78 DRD2 (0.45) DRD2KDM1AMAOBDRD3CRHR1
SCHEMBL15342786 0.78 DRD2 (0.45) DRD2KDM1AMAOBDRD3CRHR1
SCHEMBL2392460 0.78 DRD2 (0.45) DRD2KDM1AMAOBDRD3CRHR1
SCHEMBL23826847 0.78 PTGER4 (0.56) DRD2KDM1AMAOBACACBACACA

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
EP-3882239-A1 1,3,4-OXADIAZOLONE COMPOUND AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2021-09-22 — — EP disclosed
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