SCHEMBL21616625

SCHEMBL21616625

O=C(Oc1ccc(C(F)(F)F)cc1)C1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.49
▸ SCN9A Q15858 1/20 0.45
▸ KIF11 P52732 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.40
▸ ENPP3 O14638 4/20 0.39
▸ ENPP1 P22413 3/20 0.39
▸ ENPP2 Q13822 3/20 0.39
▸ LIPE Q05469 2/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PAX8 Q06710 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ NPSR1 Q6W5P4 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
SCHEMBL19618934 0.82 MAPT (0.47) HTR2CKMT2AHTTSMN1; SMN2TDP1
SCHEMBL5717063 0.79 ENPP3 (0.46) LTA4HSCN9AKMT2AENPP3ENPP1
SCHEMBL28232336 0.77 SLC6A3 (0.49) KMT2AHTTSMN1; SMN2TDP1MEN1
SCHEMBL18295372 0.77 HTT (0.46) HTR2CKMT2AHTTSMN1; SMN2TDP1
SCHEMBL29035303 0.77 HTT (0.46) HTR2CKMT2AHTTSMN1; SMN2TDP1
SCHEMBL28789042 0.77 HTT (0.46) LTA4HHTR2CKMT2AHTTSMN1; SMN2
SCHEMBL27740311 0.77 TDP1 (0.46) SCN9AHTR2CKMT2AHTTSMN1; SMN2
SCHEMBL3060268 0.77 HTT (0.46) HTR2CKMT2AHTTSMN1; SMN2TDP1
SCHEMBL16197773 0.77 HTT (0.46) HTR2CKMT2AHTTSMN1; SMN2TDP1
SCHEMBL23356900 0.76 DPP4 (0.49) HTR2CKMT2AHTTSMN1; SMN2TDP1

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-2020011147-A1 RORγ ANTAGONIST AND APPLICATION THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-01-16 — — WO disclosed
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