SCHEMBL9014111

SCHEMBL9014111

CCCCCCN(C(C)=O)c1ccc(OC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.61
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ABL1 P00519 1/20 0.50
RIN1 Q13671 1/20 0.50
HRH3 Q9Y5N1 2/20 0.49
OPRM1 P35372 2/20 0.49
S1PR5 Q9H228 1/20 0.48
OPRK1 P41145 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL9014114 0.84 ACHE (0.49) ACHESMN1; SMN2ABL1RIN1
SCHEMBL9014137 0.79 HRH1 (0.40) ACHEHRH3OPRM1
SCHEMBL9014112 0.79 OPRK1 (0.53) GAASMN1; SMN2ABL1RIN1HRH3
SCHEMBL9013995 0.78 GPR119 (0.51)
SCHEMBL28597470 0.77 PTGIR (0.56) ACHEOPRM1LMNA
Hydrochloric Acid SCHEMBL9013903 0.74 SMN1; SMN2 (0.58) ACHEGAASMN1; SMN2HRH3S1PR5
SCHEMBL28613676 0.74 ACHE (0.57) ACHEOPRM1
SCHEMBL6783771 0.74 ACHE (0.52) ACHES1PR5KDM4ELMNA
SCHEMBL4237889 0.74 OPRK1 (0.65) GAASMN1; SMN2HRH3OPRK1LMNA
SCHEMBL13463052 0.73 HRH3 (0.70) ACHEGAASMN1; SMN2HRH3OPRK1

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