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SCHEMBL3718628

SCHEMBL3718628

Cc1cc(C(=O)N2CC[C@@H](Nc3nc4ccc(Cl)cc4o3)C2)c(C(F)(F)F)o1.O=C(c1c(F)cccc1N1CCCC1)N1CC[C@@H](Nc2nc3ccc(Cl)cc3o2)C1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCRTR2 O43614 10/20 0.40
▸ HCRTR1 O43613 9/20 0.40
▸ SCD O00767 1/20 0.36
▸ AURKA O14965 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SSTR5 P35346 1/20 0.35
▸ GPR6 P46095 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
SCHEMBL4247674 0.90 HCRTR1 (0.48) HCRTR2HCRTR1SSTR5
SCHEMBL4247680 0.90 HCRTR1 (0.48) HCRTR2HCRTR1SSTR5
SCHEMBL4245088 0.88 SCD (0.42) HCRTR2HCRTR1SCDAURKALMNA
SCHEMBL4245082 0.88 SCD (0.42) HCRTR2HCRTR1SCDAURKALMNA
SCHEMBL8224301 0.82 HCRTR2 (0.47) HCRTR2HCRTR1SSTR5
SCHEMBL3661341 0.81 HCRTR2 (0.43) HCRTR2HCRTR1LMNASSTR5
SCHEMBL4250853 0.81 HCRTR2 (0.43) HCRTR2HCRTR1LMNASSTR5
SCHEMBL8224371 0.80 HCRTR2 (0.47) HCRTR2HCRTR1SSTR5
SCHEMBL8218276 0.79 HCRTR2 (0.44) HCRTR2HCRTR1SSTR5
SCHEMBL4242950 0.76 SSTR5 (0.42) HCRTR2HCRTR1SSTR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234999-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 — — EP disclosed
WO-2009080533-A1 HETEROARYL DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-02 — — WO disclosed