SCHEMBL3973527

SCHEMBL3973527

CCOc1cc(CN(c2ccc(C(=O)NCC(F)(F)F)cn2)C2CCNCC2)cc(OCC)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 2/20 0.36
EPHX2 P34913 2/20 0.36
TACR1 P25103 1/20 0.36
SSTR5 P35346 3/20 0.36
IP6K1 Q92551 1/20 0.35
DDR1 Q08345 1/20 0.35
HPGDS O60760 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
SCHEMBL3972560 0.89 SSTR5 (0.36) TACR1SSTR5
SCHEMBL3973181 0.89 JAK2 (0.40) GABRA5TACR1SSTR5
SCHEMBL3970974 0.88 SSTR5 (0.37) GABRA5TACR1SSTR5
SCHEMBL3976811 0.88 TP53 (0.43) GABRA5SSTR5IP6K1
SCHEMBL3972521 0.86 KDM4E (0.38) TACR1SSTR5
SCHEMBL3972951 0.85 RXRA (0.42) TACR1SSTR5
SCHEMBL3972553 0.85 SSTR5 (0.45) SSTR5
SCHEMBL3977954 0.85 TACR1 (0.37) TACR1SSTR5
SCHEMBL3972880 0.85 SSTR5 (0.36) TACR1SSTR5
SCHEMBL3977471 0.80 RAB9A (0.40) 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