SCHEMBL7514910

SCHEMBL7514910

N=C(Nc1ccc2c(c1)CN1CCCC1CO2)C1=CC=CCC1=S

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 2/20 0.33
CHRNA3 P32297 2/20 0.33
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ITGB3 P05106 3/20 0.30
ITGA2B P08514 3/20 0.30

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
SCHEMBL7518500 0.97 ALDH1A1 (0.31) CHRNB4CHRNA3
SCHEMBL7515445 0.84 L3MBTL3 (0.34)
SCHEMBL7515962 0.82 L3MBTL3 (0.35) SMN1; SMN2
SCHEMBL7482093 0.81 SMN1; SMN2 (0.38) GAASMN1; SMN2
SCHEMBL7554137 0.81 KDM4E (0.31)
SCHEMBL7512824 0.81 L3MBTL3 (0.35) GAASMN1; SMN2
SCHEMBL7489818 0.77 SMN1; SMN2 (0.35) GAASMN1; SMN2
SCHEMBL7484693 0.77 ALDH1A1 (0.32) GAASMN1; SMN2
SCHEMBL7512987 0.76 CNR1 (0.33)
SCHEMBL7506634 0.76 ALDH1A1 (0.40) GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0861250-B1 AMIDINE AND ISOTHIOUREA DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2002-02-13 EP claimed