SCHEMBL13061032

SCHEMBL13061032

CCc1cccc(CN(Cc2ccccc2)C[C@@H]2CCCN2)c1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 14/20 0.48
▸ POLB P06746 1/20 0.44
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ LTA4H P09960 2/20 0.40

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
SCHEMBL13005704 0.86 GHSR (0.49) GHSRPOLB
SCHEMBL11419707 0.85 GHSR (0.53) GHSRPOLBCHRNB2CHRNA4LTA4H
SCHEMBL22288105 0.82 POLB (0.50) GHSRPOLBCHRNB2CHRNA4LTA4H
SCHEMBL28458976 0.79 POLB (0.56) GHSRPOLBLTA4H
SCHEMBL10132500 0.78 POLB (0.58) POLBLTA4H
SCHEMBL13220245 0.76 GHSR (0.53) GHSRPOLBCHRNB2CHRNA4LTA4H
SCHEMBL337613 0.74 GHSR (0.67) GHSRPOLB
SCHEMBL337804 0.74 GHSR (0.67) GHSRPOLB
SCHEMBL21216250 0.74 POLB (0.54) GHSRPOLBLTA4H
SCHEMBL1355696 0.74 OPRM1 (0.59) GHSRPOLBLTA4H

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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