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SCHEMBL19207314

SCHEMBL19207314

CC(C)(C)NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2ccnn2CC2CC2)c1.CCn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRHR1 P34998 12/20 0.40
▸ P2RY14 Q15391 2/20 0.38
▸ CRHR2 Q13324 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ MCHR1 Q99705 3/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADAMTS7 Q9UKP4 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
SCHEMBL19207315 0.97 CRHR1 (0.42) CRHR1P2RY14CRHR2PDE4DMCHR1
SCHEMBL19207326 0.92 P2RY14 (0.42) P2RY14MCHR1ADORA3ADAMTS7
SCHEMBL19207316 0.88 PDE4D (0.40) CRHR1CRHR2PDE4DADORA3
SCHEMBL19207255 0.86 CNR1 (0.40) CRHR1CRHR2PDE4DADORA3
SCHEMBL19642044 0.84 CRHR1 (0.43) CRHR1P2RY14CRHR2PDE4DMCHR1
SCHEMBL19207291 0.83 TP53 (0.41) ADORA3
SCHEMBL19207320 0.81 CNR1 (0.43) ADORA3
SCHEMBL21568426 0.80 CRHR1 (0.41) CRHR1CRHR2
SCHEMBL19207276 0.79 P2RY14 (0.44) P2RY14MCHR1ADORA3
SCHEMBL19641912 0.79 P2RY14 (0.46) P2RY14MCHR1ADAMTS7

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-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 — — EP claimed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 — — WO claimed
EP-3411365-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS H. Hoffnabb-La Roche Ag (CH) 2018-12-12 — — EP disclosed
WO-2017133990-A1 PYRAZOL-PYRIDINE DERIVATIVES AS EAAT3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2017-08-10 — — WO disclosed