SCHEMBL5367759

SCHEMBL5367759

CCC(C)(C)Nc1c(-c2ccc(OC)cc2)nc2ccccn12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.65
TUBB P07437 4/20 0.65
TUBA3C P0DPH7 4/20 0.65
TUBA1B P68363 4/20 0.65
TUBA4A P68366 4/20 0.65
TUBB4B P68371 4/20 0.65
TUBB3 Q13509 4/20 0.65
TUBB2A Q13885 4/20 0.65
TUBB8 Q3ZCM7 4/20 0.65
TUBA3E Q6PEY2 4/20 0.65
TUBA1A Q71U36 4/20 0.65
TUBA1C Q9BQE3 4/20 0.65
TUBB6 Q9BUF5 4/20 0.65
TUBB2B Q9BVA1 4/20 0.65
TUBB1 Q9H4B7 4/20 0.65
PKM P14618 1/20 0.60
PKLR P30613 1/20 0.60
ADRA1B P35368 1/20 0.58
BACE1 P56817 3/20 0.57
BACE2 Q9Y5Z0 3/20 0.57

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
SCHEMBL1966640 0.90 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1969357 0.81 TUBB4A (0.65) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1968349 0.81 TUBB4A (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1964838 0.79 TUBB4A (1.00) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL25416714 0.78 ADRA1B (0.91) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2995123 0.78 TUBB4A (0.93) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1969449 0.78 TUBB4A (0.71) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL1971979 0.78 NR1H4 (0.74) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL998603 0.77 ADRA1B (0.73) PKMADRA1BBACE1BACE2NPC1
SCHEMBL1972325 0.76 TUBB4A (0.68) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007067711-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO claimed
WO-2007067711-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO disclosed