SCHEMBL9014114

SCHEMBL9014114

CCCCCCN(C(C)=O)c1ccccc1OC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
BCHE P06276 1/20 0.44

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
SCHEMBL9014111 0.84 ACHE (0.61) ACHESMN1; SMN2ABL1RIN1
SCHEMBL9014145 0.81 HRH1 (0.42)
SCHEMBL9014000 0.81 PDE4D (0.51)
SCHEMBL4229644 0.74 SMN1; SMN2 (0.60) SMN1; SMN2BCHE
SCHEMBL14557253 0.73 ALDH1A1 (0.49)
SCHEMBL8040963 0.73 ALDH1A1 (0.49)
SCHEMBL4135213 0.73 BCHE (0.67) ACHESMN1; SMN2ABL1RIN1BCHE
SCHEMBL9014102 0.73 SMN1; SMN2 (0.47) SMN1; SMN2ABL1RIN1BCHE
SCHEMBL9014112 0.73 OPRK1 (0.53) SMN1; SMN2ABL1RIN1
Hydrochloric Acid SCHEMBL9380707 0.72 BCHE (0.65) ACHESMN1; SMN2ABL1RIN1BCHE

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