SCHEMBL3175358

SCHEMBL3175358

Nc1nc2c(s1)CCCC2C(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
HRH3 Q9Y5N1 3/20 0.39
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
LSS P48449 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.36

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
SCHEMBL3171977 0.90 ALDH1A1 (0.45) SMN1; SMN2
SCHEMBL3175350 0.88 LSS (0.39) CHRM1ROCK2ROCK1HRH3ITGB3
SCHEMBL3156925 0.87 MAPT (0.53) SMN1; SMN2
SCHEMBL3163995 0.82 KDM4E (0.50) SMN1; SMN2
SCHEMBL3167885 0.81 HTT (0.38)
SCHEMBL3170303 0.81 SMN1; SMN2 (0.45) SMN1; SMN2
SCHEMBL3170897 0.79 GRM5 (0.42) SMN1; SMN2
SCHEMBL3171972 0.78 ALDH1A1 (0.46) SMN1; SMN2
SCHEMBL3157547 0.76 CHRM3 (0.44) HRH3
SCHEMBL3164002 0.75 SMN1; SMN2 (0.39) SMN1; 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-1716128-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-BENZOTHIAZOL-2-YLAMINE COMPOUNDS GRUENENTHAL GMBH (DE) 2010-03-31 EP claimed