SCHEMBL3977643

SCHEMBL3977643

CCOc1cc(CN(c2cnc(C(=O)OC)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 1/20 0.35
TACR1 P25103 4/20 0.35
PLAT P00750 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
SLC6A4 P31645 8/20 0.32
SLC6A2 P23975 7/20 0.32
SLC6A3 Q01959 6/20 0.32
KCNH2 Q12809 2/20 0.32
ALDH1A1 P00352 1/20 0.32
QPCT Q16769 1/20 0.31
RORC P51449 1/20 0.31
REN P00797 1/20 0.31
MAPT P10636 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL3973459 0.91 TRPC6 (0.34) TACR1PLATSLC6A4SLC6A2SLC6A3
SCHEMBL3968589 0.91 PLAT (0.33) TACR1PLATSMN1; SMN2SLC6A4SLC6A2
SCHEMBL3970171 0.91 HTR2A (0.36) SSTR5TACR1PLATSLC6A4SLC6A2
SCHEMBL3977977 0.90 SSTR5 (0.38) SSTR5TACR1SMN1; SMN2SLC6A4SLC6A2
SCHEMBL3972784 0.88 TACR1 (0.36) TACR1PLATSLC6A4SLC6A2SLC6A3
SCHEMBL3979346 0.87 REN (0.43) SMN1; SMN2SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL3976342 0.87 SSTR5 (0.38) SSTR5TACR1SMN1; SMN2SLC6A4SLC6A2
SCHEMBL3970195 0.87 SLC6A2 (0.37) TACR1SMN1; SMN2SLC6A4SLC6A2SLC6A3
SCHEMBL4222747 0.87 DHFR (0.35) SSTR5TACR1PLATSMN1; SMN2SLC6A4
SCHEMBL3970400 0.86 SLC6A9 (0.37) TACR1SMN1; SMN2SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP claimed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO claimed
EP-2054385-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-05-06 EP disclosed
WO-2008019967-A2 PHENYL, PYRIDINE AND QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 WO disclosed