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SCHEMBL29233307

SCHEMBL29233307

O=C(O)C1c2ccc(OS(=O)(=O)C(F)(F)F)cc2CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 10/20 0.41
▸ DRD3 P35462 9/20 0.41
▸ HTR1D P28221 1/20 0.39
▸ ACE P12821 1/20 0.39
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ MTNR1B P49286 1/20 0.38
▸ RORC P51449 2/20 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
SCHEMBL4084254 0.83 DPP4 (0.43) DRD2DRD3HTR1DMTNR1B
SCHEMBL4084257 0.80 MTNR1B (0.50) MTNR1B
SCHEMBL4082356 0.78 DPP4 (0.42) DRD2DRD3HTR1DMTNR1B
SCHEMBL28145466 0.76 ESR1 (0.51) DRD2DRD3ACEESR1ESR2
SCHEMBL2121244 0.75 ESR1 (0.40) DRD2DRD3HTR1DESR1ESR2
SCHEMBL22777003 0.75 TRPV1 (0.49) DRD2DRD3HTR1DESR1ESR2
SCHEMBL2082119 0.75 GHSR (0.49) DRD2DRD3HTR1D
SCHEMBL30920111 0.75 GHSR (0.49) DRD2DRD3HTR1D
SCHEMBL7974143 0.74 ESR1 (0.51) DRD2DRD3ESR1ESR2
SCHEMBL4082358 0.74 MTNR1B (0.49) DRD2DRD3HTR1DMTNR1B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113666863-B Biaryl compounds useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 — — CN disclosed
CN-113773251-B Anilines useful as rory modulators 励缔(杭州)医药科技有限公司 2024-06-11 — — CN disclosed