SCHEMBL22270671

SCHEMBL22270671

CCCc1ccc(CC(Nc2ccc(-c3nccnc3OC(C)c3ccccc3)cc2)=C2CCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 4/20 0.39
▸ RORB Q92753 1/20 0.37
▸ LPAR1 Q92633 3/20 0.34
▸ LPAR3 Q9UBY5 1/20 0.34
▸ KDR P35968 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ FFAR1 O14842 1/20 0.32
▸ PDE10A Q9Y233 2/20 0.31
▸ PSMB5 P28074 1/20 0.31
▸ NOX1 Q9Y5S8 4/20 0.31
▸ WNT3A P56704 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL22271062 0.88 LPAR1 (0.35) RORCRORBLPAR1LPAR3KDR
SCHEMBL22270563 0.85 WNT3A (0.39) RORCKDRPDE10AWNT3AHTT
SCHEMBL22270885 0.82 RORC (0.35) RORCKDRPDE10ASMN1; SMN2
SCHEMBL22270668 0.81 KDR (0.36) RORCKDRPDE10AWNT3ASMN1; SMN2
SCHEMBL22270537 0.78 MAPT (0.36) KDRPDE10AWNT3ASMN1; SMN2
SCHEMBL22270880 0.77 LMNA (0.37) KDRPSMB5WNT3ASMN1; SMN2
SCHEMBL22270887 0.76 KDM4E (0.40) HTTSMN1; SMN2
SCHEMBL22270886 0.74 L3MBTL1 (0.35) PDE10A
SCHEMBL22271073 0.74 CCR1 (0.32) —
SCHEMBL19205607 0.72 RORC (0.51) RORCRORBLPAR1LPAR3WNT3A

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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