SCHEMBL20077255

SCHEMBL20077255

COc1cccc(C(C(=O)N2CCC(CCCC(C)Nc3ccc(C(=O)N(C)C)c(Cl)c3)CC2)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.41
▸ NR1H3 Q13133 3/20 0.41
▸ ROCK2 O75116 2/20 0.36
▸ PRKG1 Q13976 2/20 0.36
▸ CHRM4 P08173 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCR3 P51677 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ SMO Q99835 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ SLC6A9 P48067 1/20 0.34

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
SCHEMBL22894978 1.00 NR1H2 (0.41) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL20077550 0.86 NR1H2 (0.53) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL20077155 0.86 NR1H2 (0.53) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL22895048 0.86 NR1H2 (0.53) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL20077156 0.86 NR1H2 (0.53) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL20077551 0.86 NR1H2 (0.53) NR1H2NR1H3ROCK2PRKG1CHRM4
SCHEMBL20060866 0.85 GPR119 (0.44) NR1H2NR1H3PDK2FFAR1GPR119
SCHEMBL20077739 0.85 NR1H2 (0.38) NR1H2NR1H3PDK2FFAR1GPR119
SCHEMBL20077652 0.83 NR1H2 (0.39) NR1H2NR1H3KMT2APDK2FFAR1
SCHEMBL22363661 0.81 NR1H2 (0.49) NR1H2NR1H3ROCK2CHRM4KMT2A

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-2018071315-A2 PIPERIDINE DERIVATIVES AS LIVER X RECEPTOR BETA AGONISTS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2018-04-19 — — WO disclosed
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