SCHEMBL7202280

SCHEMBL7202280

O=C(c1ccccc1-c1ccncc1)N1CCN(S(=O)(=O)c2cc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 11/20 0.56
KLK1 P06870 1/20 0.56
ALDH1A1 P00352 1/20 0.48
CYP46A1 Q9Y6A2 2/20 0.45
KMT2A Q03164 1/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CDK4 P11802 1/20 0.44
CCND1 P24385 1/20 0.44
OPRM1 P35372 1/20 0.43
ATM Q13315 1/20 0.42

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
SCHEMBL6421240 0.86 F10 (0.55) F10KLK1KMT2AHRH1HRH4
SCHEMBL5196283 0.85 F10 (0.71) F10KLK1
SCHEMBL6735877 0.84 F10 (0.54) F10KLK1ALDH1A1HRH1HRH4
SCHEMBL6729216 0.83 F10 (0.55) F10KLK1ALDH1A1HRH1HRH4
SCHEMBL6728636 0.83 F10 (0.58) F10KLK1ALDH1A1HRH1HRH4
SCHEMBL6730994 0.83 F10 (0.61) F10KLK1OPRM1
SCHEMBL6421720 0.82 F10 (0.53) F10KLK1HRH1HRH4HRH3
SCHEMBL6781543 0.82 F10 (0.61) F10KLK1ALDH1A1
SCHEMBL6735874 0.82 F10 (0.54) F10KLK1ALDH1A1HRH1HRH4
SCHEMBL6730422 0.82 F10 (0.74) F10KLK1

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
US-20030158120-A1 Combination product comprising melagatran and a factor xa inhibitor ASTRZENECA AB (SE) 2003-08-21 US disclosed