SCHEMBL22212692

SCHEMBL22212692

COc1ccc2c(c1NC1CCN(C)CC1)CC(Cc1ncccc1C(F)(F)F)C2=O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SSTR4 P31391 12/20 0.41
▸ SSTR1 P30872 5/20 0.41
▸ CYP19A1 P11511 1/20 0.38
▸ BCHE P06276 2/20 0.37
▸ ACHE P22303 2/20 0.37
▸ CYP27A1 Q02318 1/20 0.36
▸ CYP24A1 Q07973 1/20 0.36
▸ PTK2 Q05397 2/20 0.35
▸ RBP4 P02753 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
SCHEMBL16552816 0.90 SSTR4 (0.40) SSTR4SSTR1BCHEACHEPTK2
SCHEMBL16553339 0.84 ACHE (0.46) SSTR4SSTR1BCHEACHEPTK2
SCHEMBL16552907 0.81 ACHE (0.46) CYP19A1BCHEACHECYP27A1CYP24A1
SCHEMBL16552796 0.80 CYP19A1 (0.44) CYP19A1BCHEACHECYP27A1CYP24A1
SCHEMBL16558726 0.78 ACHE (0.48) SSTR4CYP19A1BCHEACHE
SCHEMBL16552586 0.76 ACHE (0.39) CYP19A1BCHEACHECYP27A1CYP24A1
SCHEMBL16552705 0.75 ACHE (0.47) BCHEACHE
SCHEMBL21887752 0.75 PDE4D (0.45) BCHEACHE
SCHEMBL16552901 0.73 ACHE (0.48) BCHEACHE
SCHEMBL16558740 0.73 METAP1 (0.39) SSTR4CYP19A1BCHEACHECYP27A1

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-3680237-A1 PROCESS FOR PREPARING SUBSTITUTED 2,3-DIHYDRO-1H-INDEN-1-ONE RETINOIC ACID-RELATED ORPHAN NUCLEAR RECEPTOR ANTAGONISTS FOR TREATING MULTIPLE SCLEROSIS Arrien Pharmaceuticals LLC (US) 2020-07-15 — — EP disclosed
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