SCHEMBL3878717

SCHEMBL3878717

Cc1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(-c3nccn3C(C)C)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 3/20 0.42
GALR1 P47211 3/20 0.42
HSD11B1 P28845 4/20 0.39
NPC1 O15118 1/20 0.39
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
EPHX2 P34913 1/20 0.39
PHGDH O43175 1/20 0.38

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
SCHEMBL3943226 0.92 HSD11B1 (0.43) GALR2GALR1HSD11B1
SCHEMBL14613859 0.92 GALR2 (0.41) GALR2GALR1HSD11B1NPC1GAA
SCHEMBL3881411 0.85 TRPV1 (0.45) GALR2GALR1
SCHEMBL3877704 0.84 GALR2 (0.50) GALR2GALR1HSD11B1EPHX2
SCHEMBL3880973 0.83 GALR2 (0.44) GALR2GALR1NPC1GAARAB9A
SCHEMBL3876600 0.83 HSD11B1 (0.42) GALR2GALR1HSD11B1
SCHEMBL3877797 0.83 GALR2 (0.46) GALR2GALR1HSD11B1EPHX2
SCHEMBL3884829 0.82 TRPV1 (0.46) GALR2GALR1HSD11B1
SCHEMBL3878777 0.82 GALR2 (0.43) GALR2GALR1HSD11B1EPHX2PHGDH
SCHEMBL3878072 0.81 GALR2 (0.59) GALR2GALR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed
US-7566712-B2 Biaryl piperazinyl-pyridine analogues NEUROGEN CORPORATION (US) 2009-07-28 US disclosed