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Sugi Predict / Compounds / SCHEMBL17445033

SCHEMBL17445033

SCHEMBL17445033

COc1cc(F)ccc1C(=O)N1CCCC[C@H]1c1cc2nc(N3CC[C@H](C)C3)c(C)cn2n1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 13/20 0.39
▸ HCRTR2 O43614 13/20 0.39
▸ PDE2A O00408 1/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ HSP90AA1 P07900 1/20 0.37
▸ HSP90AB1 P08238 1/20 0.37
▸ GRM5 P41594 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
SCHEMBL15077274 0.93 MAPT (0.39) HCRTR1HCRTR2ROCK2
SCHEMBL15077251 0.93 GRM5 (0.39) HCRTR1HCRTR2PDE2AGRM5
SCHEMBL15077199 0.92 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL2738236 0.92 HCRTR1 (0.39) HCRTR1HCRTR2PDE2AROCK2HSP90AA1
SCHEMBL15077260 0.92 GRM5 (0.45) HCRTR1HCRTR2GRM5
SCHEMBL15077264 0.91 GRM5 (0.37) HCRTR1HCRTR2PDE2AGRM5
SCHEMBL17445047 0.90 HCRTR1 (0.37) HCRTR1HCRTR2HSP90AA1HSP90AB1GRM5
SCHEMBL15077276 0.89 HCRTR1 (0.40) HCRTR1HCRTR2HSP90AA1HSP90AB1
SCHEMBL15077257 0.89 HCRTR1 (0.40) HCRTR1HCRTR2PDE2AHSP90AA1HSP90AB1
SCHEMBL18022007 0.89 HCRTR1 (0.40) HCRTR1HCRTR2PDE2AHSP90AA1HSP90AB1

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
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 — — US disclosed