SCHEMBL2478686

SCHEMBL2478686

O=C(O)N1CCN(c2c(F)cc(N3C(=O)OCC3Cn3cc(CF)nn3)cc2F)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.33
HDAC3 O15379 6/20 0.31
TUBB4A P04350 6/20 0.31
TUBB P07437 6/20 0.31
TUBA3C P0DPH7 6/20 0.31
HDAC4 P56524 6/20 0.31
TUBA1B P68363 6/20 0.31
TUBA4A P68366 6/20 0.31
TUBB4B P68371 6/20 0.31
TUBB3 Q13509 6/20 0.31
HDAC1 Q13547 6/20 0.31
TUBB2A Q13885 6/20 0.31
TUBB8 Q3ZCM7 6/20 0.31
TUBA3E Q6PEY2 6/20 0.31
TUBA1A Q71U36 6/20 0.31
HDAC7 Q8WUI4 6/20 0.31
HDAC2 Q92769 6/20 0.31
HDAC10 Q969S8 6/20 0.31
HDAC11 Q96DB2 6/20 0.31
TUBA1C Q9BQE3 6/20 0.31

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
SCHEMBL2501176 0.88 KDM1A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2478684 0.81 MAOA (0.49) MAOA
SCHEMBL2509466 0.81 KDM1A (0.40) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL2507003 0.80 HRH3 (0.39)
SCHEMBL2501461 0.71 MAOA (0.38) MAOA
SCHEMBL2501174 0.70 MAOA (0.49) MAOA
SCHEMBL18059592 0.70 MAOA (0.49) MAOA
SCHEMBL2507043 0.67 GPR119 (0.41)
SCHEMBL2508202 0.66 HRH3 (0.40) MAOA
SCHEMBL2480377 0.66 GPR119 (0.40) MAOA

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
EP-2367820-A2 Novel antimicrobials Panacea Biotec Limited (IN) 2011-09-28 EP disclosed
WO-2010058423-A2 NOVEL ANTIMICROBIALS PANACEA BIOTEC LTD. (IN) 2010-05-27 WO disclosed