SCHEMBL3389548

SCHEMBL3389548

C1=CNC(c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PRCP P42785 1/20 0.37
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10873372 0.88 SLC18A3 (0.35) SLC18A3SIGMAR1MEN1KMT2APRCP
SCHEMBL3704857 0.80 DDB1 (0.35) MAPT
SCHEMBL4703182 0.80 CHRNB2 (0.56) MEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL29882239 0.79 DDB1 (0.34)
SCHEMBL7068816 0.78 MEN1 (0.39) SLC18A3SIGMAR1MEN1KMT2APRCP
SCHEMBL28159132 0.78 SLC18A3 (0.40) SLC18A3SIGMAR1MEN1KMT2APRCP
SCHEMBL4165235 0.78 SLC18A3 (0.40) SLC18A3SIGMAR1MEN1KMT2APRCP
Hydrochloric Acid SCHEMBL1566699 0.78 CHRNB2 (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL31544229 0.76 HTR2C (0.46) MEN1KMT2AGAAMAPT
SCHEMBL7508696 0.75 FAAH (0.33)

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
EP-2166002-A1 Chiral organic catalysts for the enantioselective reduction of n-alkyl and n-benzyl-substituted alicyclic and cyclic imines UNIVERSITA'DEGLI STUDI DI MILANO (IT) 2010-03-24 EP disclosed