SCHEMBL16638939

SCHEMBL16638939

Cc1ncc(OC[C@@]2(c3ccccc3F)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
SCHEMBL10266354 1.00 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL2119180 0.93 HCRTR1 (0.87) HCRTR1HCRTR2KCNH2
SCHEMBL2610611 0.93 HCRTR1 (0.87) HCRTR1HCRTR2KCNH2
SCHEMBL2610582 0.92 HCRTR1 (0.85) HCRTR1HCRTR2KCNH2
SCHEMBL2610652 0.92 HCRTR1 (0.85) HCRTR1HCRTR2KCNH2
SCHEMBL2619058 0.92 HCRTR1 (0.85) HCRTR1HCRTR2KCNH2
SCHEMBL2610590 0.91 HCRTR1 (0.84) HCRTR1HCRTR2KCNH2
SCHEMBL2118103 0.91 HCRTR1 (0.84) HCRTR1HCRTR2KCNH2
SCHEMBL2116797 0.89 HCRTR1 (1.00) HCRTR1HCRTR2KCNH2
SCHEMBL2610651 0.89 HCRTR2 (0.80) 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