SCHEMBL20570727

SCHEMBL20570727

CC(C)(C)OC(=O)N1CC(C(F)(F)c2ccc(I)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 9/20 0.49
▸ MAPT P10636 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ LIPE Q05469 1/20 0.39
▸ TACR1 P25103 1/20 0.39
▸ GPR119 Q8TDV5 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
SCHEMBL17729471 0.89 MAPT (0.52) RORCMAPTUSP30NR1H2TACR1
SCHEMBL17541957 0.86 RORC (0.49) RORCMAPTUSP30
SCHEMBL26105375 0.77 RORC (0.43) RORCUSP30PDE4BNR1H2TACR1
SCHEMBL26187054 0.77 USP30 (0.45) RORCUSP30PDE4BGPR119
SCHEMBL26187095 0.77 USP30 (0.45) RORCUSP30PDE4BGPR119
SCHEMBL17542065 0.77 SMN1; SMN2 (0.52) MAPTUSP30
SCHEMBL30324497 0.76 RORC (0.42) RORCUSP30PDE4BTACR1GPR119
SCHEMBL23211982 0.76 MAPT (0.56) MAPTKDM4EGPR119
SCHEMBL30324512 0.75 GPR119 (0.46) RORCGPR119
SCHEMBL24111414 0.75 GPR119 (0.46) RORCGPR119

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-2018216822-A1 NOVEL IMIDAZOLE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD. (JP) 2018-11-29 — — WO disclosed
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