SCHEMBL4848458

SCHEMBL4848458

C[C@@](N)(C=O)NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ACHE P22303 5/20 0.52
BCHE P06276 3/20 0.52
BACE1 P56817 3/20 0.52
SIGMAR1 Q99720 6/20 0.51
KCNH2 Q12809 1/20 0.49
DRD4 P21917 1/20 0.49
MAOB P27338 1/20 0.48
MAPK1 P28482 2/20 0.48
TMEM97 Q5BJF2 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
ALOX12 P18054 1/20 0.48
SLC6A12 P48065 1/20 0.48
MCHR1 Q99705 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL3307906 0.82 ACHE (0.62) MEN1KMT2AACHEBCHEBACE1
SCHEMBL4847374 0.81 BCHE (0.51) MEN1KMT2AACHEBCHEBACE1
SCHEMBL4844849 0.81 BCHE (0.51) MEN1KMT2AACHEBCHEBACE1
SCHEMBL13548837 0.78 ACHE (0.57) MEN1KMT2AACHEBCHEBACE1
SCHEMBL1448701 0.77 ACHE (0.56) MEN1KMT2AACHEBCHEBACE1
SCHEMBL3047685 0.76 ACHE (0.62) MEN1KMT2AACHEBCHEBACE1
SCHEMBL28760518 0.74 ACHE (0.68) MEN1KMT2AACHEBCHEBACE1
SCHEMBL117304 0.74 ACHE (0.68) MEN1KMT2AACHEBCHEBACE1
SCHEMBL360075 0.74 ACHE (0.68) MEN1KMT2AACHEBCHEBACE1
SCHEMBL8259147 0.73 BACE1 (0.64) MEN1KMT2AACHEBCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed
EP-1179341-B1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LTD (JP) 2005-11-09 EP disclosed
EP-1553085-A1 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-07-13 EP disclosed
EP-1535909-A2 Cyclic amine derivatives and their use as drugs TEIJIN LIMITED (JP) 2005-06-01 EP disclosed
US-6451842-B1 Cyclic amine derivatives and their use as drugs DUPONT PHARMACEUTICALS COMPANY 2002-09-17 US disclosed
US-6410566-B1 ATHEROSCLEROSIS; ANTIARTHRITIC AGENTS TEIJIN LIMITED (JP) 2002-06-25 US disclosed
US-6362177-B1 INHIBITION OF CHEMOKINE BINDING TEIJIN LIMITED (JP) 2002-03-26 US disclosed
EP-1179341-A1 REMEDIES OR PREVENTIVES FOR DISEASES IN ASSOCIATION WITH CHEMOKINES TEIJIN LIMITED (JP) 2002-02-13 EP disclosed