SCHEMBL13005704

SCHEMBL13005704

CC(C)Cc1cccc(CN(Cc2ccccc2)C[C@@H]2CCCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 18/20 0.49
▸ POLB P06746 1/20 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
SCHEMBL13061032 0.86 GHSR (0.48) GHSRPOLB
SCHEMBL11419707 0.79 GHSR (0.53) GHSRPOLB
SCHEMBL22288105 0.77 POLB (0.50) GHSRPOLB
SCHEMBL22455707 0.75 POLB (0.59) GHSRPOLB
SCHEMBL13220245 0.74 GHSR (0.53) GHSRPOLB
SCHEMBL13005567 0.74 SIGMAR1 (0.40) —
SCHEMBL13005578 0.74 SIGMAR1 (0.40) —
SCHEMBL28458976 0.73 POLB (0.56) GHSRPOLB
SCHEMBL21216250 0.71 POLB (0.54) GHSRPOLB
SCHEMBL1355696 0.71 OPRM1 (0.59) GHSRPOLB

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-7851637-B2 Compounds and methods for inhibiting the interaction of BCL proteins with binding partners INFINITY PHARMACEUTICALS, INC. (US) 2010-12-14 — — US disclosed
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