SCHEMBL3930491

SCHEMBL3930491

CCOc1cc(CN(c2cc(C(=O)OC)nc(Cl)n2)C2CCNCC2)ccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.39
SLC6A4 P31645 7/20 0.38
SLC6A2 P23975 6/20 0.38
SLC6A3 Q01959 4/20 0.38
KCNH2 Q12809 3/20 0.38
SSTR5 P35346 5/20 0.37
SSTR1 P30872 1/20 0.37
HRH1 P35367 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3929051 0.92 TACR1 (0.40) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3931415 0.92 REN (0.42) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3928360 0.92 TACR1 (0.39) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3930518 0.89 TACR1 (0.36) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3937177 0.89 TACR1 (0.35) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3933365 0.89 TACR1 (0.35) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3977977 0.87 SSTR5 (0.38) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3925281 0.86 TACR1 (0.41) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4700592 0.85 SLC6A4 (0.41) TACR1SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4706328 0.85 SLC6A4 (0.44) TACR1SLC6A4SLC6A2SLC6A3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044054-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. Hoffmann-Roche AG (CH) 2009-04-08 EP disclosed
WO-2008000692-A2 PYRIMIDINE AND QUINAZOLINE DERIVATIVES AS MODULATORS OF SOMATOSTATINE RECEPTOR ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed