SCHEMBL14794877

SCHEMBL14794877

CCC(=O)N1CCc2c(c(-c3cccc(C(F)(F)F)c3)nn2Cc2ccc(C(F)(F)F)nc2)C1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 18/20 0.71
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ CTSS P25774 1/20 0.43

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
SCHEMBL14785044 0.92 KCNK3 (0.83) KCNK3
SCHEMBL14784727 0.90 KCNK3 (0.69) KCNK3GRIN1GRIN2B
SCHEMBL14786414 0.83 KCNK3 (1.00) KCNK3
SCHEMBL14784992 0.82 KCNK3 (0.80) KCNK3
SCHEMBL14785369 0.80 KCNK3 (0.83) KCNK3
SCHEMBL10805998 0.80 KCNK3 (0.81) KCNK3
SCHEMBL14784582 0.78 KCNK3 (0.78) KCNK3
SCHEMBL14784171 0.77 KCNK3 (1.00) KCNK3
SCHEMBL14791430 0.76 KCNK3 (1.00) KCNK3
SCHEMBL17548581 0.75 KCNK3 (0.70) KCNK3GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013037914-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDINES, THEIR USE AS MEDICAMENT, AND PHARMACEUTICAL PREPARATIONS COMPRISING THEM SANOFI (FR) 2013-03-21 — — WO disclosed
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