SCHEMBL22271025

SCHEMBL22271025

CCc1ccccc1-c1nccnc1-c1ccc(NCCc2ccc(CC(C)O)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.37
▸ RORC P51449 2/20 0.36
▸ ADRB2 P07550 4/20 0.35
▸ ADRB1 P08588 4/20 0.35
▸ ADRB3 P13945 4/20 0.35
▸ GRIA4 P48058 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ ADORA1 P30542 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ HTR7 P34969 3/20 0.33
▸ F2 P00734 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ S1PR4 O95977 2/20 0.33
▸ S1PR5 Q9H228 2/20 0.33
▸ ACACB O00763 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 1/20 0.33

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
SCHEMBL22271065 0.82 HTR7 (0.42) HTR7
SCHEMBL18484601 0.81 TRPV1 (0.33) RORCADRB2ADRB1ADRB3PPARG
SCHEMBL22270867 0.79 WNT3A (0.32) ADRB2ADRB1ADRB3PPARGPPARA
SCHEMBL22270597 0.78 GAA (0.40) FFAR1FFAR4ADRB1ADRB3F2
SCHEMBL22270650 0.75 TRPV1 (0.37) RORCHTR7
SCHEMBL19205759 0.75 RORC (0.42) RORCADRB2ADRB1ADRB3
SCHEMBL18448791 0.75 RORC (0.42) RORCADRB2ADRB1ADRB3
SCHEMBL29470980 0.75 RORC (0.42) RORCADRB2ADRB1ADRB3
SCHEMBL29470978 0.75 RORC (0.42) RORCADRB2ADRB1ADRB3
SCHEMBL29470977 0.75 RORC (0.42) RORCADRB2ADRB1ADRB3

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-3686187-A1 PROCESS FOR THE PREPARATION OF ROR GAMMA MODULATORS Glenmark Pharmaceuticals S.A. (CH) 2020-07-29 — — EP disclosed
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