SCHEMBL4735205

SCHEMBL4735205

CCN(c1cccc(CN(C(=O)c2cn(Cc3ccccc3)nn2)c2ccc(F)cc2)c1)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ACHE P22303 2/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 1/20 0.40
TUBB1 Q9H4B7 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 3/20 0.39

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
SCHEMBL4737523 0.83 ALDH1A1 (0.45) ALDH1A1LMNAACHEMEN1KMT2A
SCHEMBL4739034 0.83 ACHE (0.40) ACHEOPRM1OPRD1OPRK1S1PR1
SCHEMBL8185813 0.81 CNR2 (0.48) ALDH1A1LMNAUSP2MEN1KMT2A
SCHEMBL8193397 0.79 ALDH1A1 (0.47) ALDH1A1LMNAUSP2MEN1KMT2A
SCHEMBL4733711 0.78 LMNA (0.39) ALDH1A1LMNAACHEOPRM1HPGD
SCHEMBL8191026 0.77 ALDH1A1 (0.43) ALDH1A1LMNAUSP2MEN1KMT2A
SCHEMBL4734946 0.77 LMNA (0.58) ALDH1A1LMNAOPRM1MEN1KMT2A
SCHEMBL8198730 0.76 HSP90AB1 (0.43) ALDH1A1LMNAUSP2MEN1KMT2A
SCHEMBL3821794 0.76 OPRM1 (0.39) ALDH1A1LMNAACHEOPRM1S1PR1
SCHEMBL3059109 0.75 ACHE (0.39) LMNAACHEOPRM1S1PR1MEN1

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
WO-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed