SCHEMBL4961994

SCHEMBL4961994

O=C(O)N1CCC[C@@H]1CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.55
KCNH2 Q12809 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL15668140 0.87 SMN1; SMN2 (0.46) KMT2A
SCHEMBL13738630 0.85 DPP4 (0.47) KMT2A
SCHEMBL15667954 0.85 DPP4 (0.47) KMT2A
SCHEMBL15608026 0.85 DPP4 (0.47) KMT2A
SCHEMBL23459127 0.84 SCD5 (0.57) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL908981 0.84 SCD5 (0.57) HRH3MEN1NPC1RAB9AKMT2A
SCHEMBL6970610 0.84 MEN1 (0.54) SLC18A2KCNH2HRH3MEN1NPC1
SCHEMBL23236372 0.82 SPHK1 (0.55) MEN1NPC1RAB9AKMT2A
SCHEMBL23236376 0.82 SPHK1 (0.55) MEN1NPC1RAB9AKMT2A
SCHEMBL15668142 0.81 DPP4 (0.47)

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-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed