SCHEMBL3972516

SCHEMBL3972516

CCOc1cc(CN(c2ccc(C(=O)N3CCC(C(N)=O)CC3)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
PROKR1 Q8TCW9 2/20 0.37
VNN1 O95497 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SSTR5 P35346 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
SCHEMBL3974558 0.93 GLA (0.41) GLAPOLBPROKR1RAB9ATSHR
SCHEMBL3977471 0.90 RAB9A (0.40) GLAKMT2APROKR1SMN1; SMN2RAB9A
SCHEMBL3974588 0.89 HSD17B10 (0.43) ALDH1A1PROKR1VNN1SMN1; SMN2RAB9A
SCHEMBL3972435 0.89 PROKR1 (0.41) GLAKMT2APROKR1VNN1RAB9A
SCHEMBL3977954 0.87 TACR1 (0.37) SSTR5
SCHEMBL3972831 0.86 RAB9A (0.37) GLAMEN1KMT2APROKR1SMN1; SMN2
SCHEMBL3972951 0.84 RXRA (0.42) SSTR5
SCHEMBL3972521 0.81 KDM4E (0.38) POLBSMN1; SMN2SSTR5
SCHEMBL3973181 0.79 JAK2 (0.40) KMT2APOLBGAASSTR5
SCHEMBL3972560 0.79 SSTR5 (0.36) SSTR5

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