SCHEMBL9014102

SCHEMBL9014102

CCCCCC(Nc1ccccc1OC1CCN(Cc2ccccc2)CC1)C(C)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
ABL1 P00519 1/20 0.46
RIN1 Q13671 1/20 0.46
BCHE P06276 2/20 0.45
CHRM3 P20309 8/20 0.45
ALDH1A1 P00352 2/20 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
SCHEMBL9014131 0.82 HSP90AB1 (0.45) CHRM3
SCHEMBL12359570 0.74 SMN1; SMN2 (0.63) SMN1; SMN2BCHE
SCHEMBL9014105 0.74 SMN1; SMN2 (0.49) SMN1; SMN2ABL1RIN1BCHE
SCHEMBL9014114 0.73 ACHE (0.49) SMN1; SMN2ABL1RIN1BCHE
SCHEMBL9014112 0.71 OPRK1 (0.53) SMN1; SMN2ABL1RIN1ALDH1A1
SCHEMBL4229644 0.70 SMN1; SMN2 (0.60) SMN1; SMN2BCHEALDH1A1
SCHEMBL4464631 0.70 BCHE (0.65) SMN1; SMN2ABL1RIN1BCHECHRM3
SCHEMBL4135213 0.69 BCHE (0.67) SMN1; SMN2ABL1RIN1BCHE
SCHEMBL11731487 0.68 SMN1; SMN2 (0.67) SMN1; SMN2BCHE
Hydrochloric Acid SCHEMBL9380707 0.68 BCHE (0.65) SMN1; 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