SCHEMBL16638928

SCHEMBL16638928

Cc1ncc(OC[C@@]2(c3cc(F)cc(F)c3)CC2C(=O)Nc2ccc(F)cn2)c(C)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 20/20 1.00
KCNH2 Q12809 6/20 1.00

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
SCHEMBL2118509 1.00 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL2610645 0.93 HCRTR1 (0.87) HCRTR1HCRTR2KCNH2
SCHEMBL2120259 0.93 HCRTR1 (0.87) HCRTR1HCRTR2KCNH2
SCHEMBL2118675 0.93 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
Lemborexant SCHEMBL19866794 0.92 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
Lemborexant SCHEMBL21084776 0.92 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
Lemborexant SCHEMBL30181455 0.92 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
Lemborexant SCHEMBL2116558 0.92 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
Lemborexant SCHEMBL29521503 0.92 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
Lemborexant SCHEMBL15202534 0.92 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2

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-2626350-B1 CYCLOPROPANE COMPOUND EISAI R&D MAN CO LTD (JP) 2015-04-15 EP disclosed