SCHEMBL2083841

SCHEMBL2083841

CCC(CC)c1ccc(Cl)c2[nH]c(=O)n(C(C(=O)O)C(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.33

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
SCHEMBL2085200 0.79 POLB (0.37)
SCHEMBL2084414 0.76 CRHR1 (0.40) CRHR1
SCHEMBL3736376 0.74 CRHR1 (0.36) CRHR1
SCHEMBL3754756 0.68 TNF (0.41) CRHR1
SCHEMBL6312529 0.64 SMN1; SMN2 (0.43)
SCHEMBL2082774 0.60 KDM4E (0.38) CRHR1
SCHEMBL6311936 0.60 KMT2A (0.40)
SCHEMBL6525042 0.60 POLB (0.40)
SCHEMBL2087037 0.59 DAO (0.48)
SCHEMBL9736099 0.58 MAPT (0.47)

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