SCHEMBL2084665

SCHEMBL2084665

CCC(CC)c1ccc(Cl)c2nc(Cl)n(C(C(=O)O)C(C)C)c12

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 6/20 0.42

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
SCHEMBL3212465 0.77 CRHR1 (0.46) CRHR1
SCHEMBL2083841 0.75 CRHR1 (0.33) CRHR1
SCHEMBL2087481 0.75 CRHR1 (0.70) CRHR1
SCHEMBL3809137 0.74 CRHR1 (0.43) CRHR1
SCHEMBL2085742 0.74 CRHR1 (0.56) CRHR1
SCHEMBL3210842 0.71 CRHR1 (0.46) CRHR1
SCHEMBL3724191 0.68 CRHR1 (0.47) CRHR1
SCHEMBL3870648 0.63 CRHR1 (0.44) CRHR1
SCHEMBL3214345 0.63 CRHR1 (0.49) CRHR1
SCHEMBL2086149 0.63 CRHR1 (0.42) CRHR1

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-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed