SCHEMBL9014105

SCHEMBL9014105

CC(=O)CCCCCCNc1ccccc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
ACHE P22303 1/20 0.48
BACE1 P56817 1/20 0.48
BCHE P06276 2/20 0.47
HDAC1 Q13547 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC3 O15379 3/20 0.44
HDAC4 P56524 3/20 0.44
HDAC7 Q8WUI4 3/20 0.44
HDAC2 Q92769 3/20 0.44
HDAC10 Q969S8 3/20 0.44
HDAC11 Q96DB2 3/20 0.44
HDAC8 Q9BY41 3/20 0.44
HDAC9 Q9UKV0 3/20 0.44
HDAC5 Q9UQL6 3/20 0.44
EHMT1 Q9H9B1 1/20 0.44
OPRK1 P41145 1/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
SLC6A12 P48065 1/20 0.43

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
SCHEMBL9014136 0.81 HSP90AB1 (0.47)
SCHEMBL9013993 0.80 PDE4D (0.49)
SCHEMBL12359570 0.77 SMN1; SMN2 (0.63) SMN1; SMN2ACHEBACE1BCHE
SCHEMBL9014102 0.74 SMN1; SMN2 (0.47) SMN1; SMN2BCHEABL1RIN1
SCHEMBL4229644 0.72 SMN1; SMN2 (0.60) SMN1; SMN2BCHEOPRK1SLC6A12
SCHEMBL7288369 0.72 BCHE (0.64) SMN1; SMN2ACHEBCHE
SCHEMBL9014112 0.71 OPRK1 (0.53) SMN1; SMN2OPRK1ABL1RIN1
SCHEMBL4135213 0.71 BCHE (0.67) SMN1; SMN2ACHEBCHEOPRK1ABL1
SCHEMBL11731487 0.70 SMN1; SMN2 (0.67) SMN1; SMN2ACHEBACE1BCHEOPRK1
Hydrochloric Acid SCHEMBL9380707 0.70 BCHE (0.65) SMN1; SMN2ACHEBCHEOPRK1ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5580883-A INHIBITING DEGENERATION AND NECROCYTOSIS OF CEREBRAL NERVE CELLS CAUSED BY OXIDATIVE STRESS INDUCING GLUTAMIC ACID IN MAMMALS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
EP-0449195-B1 Aminobenzene compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-05-08 EP disclosed
EP-0449195-A2 Aminobenzene compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-10-02 EP disclosed