Sugi Predict

Sugi Predict / Compounds / SCHEMBL3948366

SCHEMBL3948366

SCHEMBL3948366

Cc1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(N(C)S(=O)(=O)C(C)C)n2)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 14/20 0.43
▸ GALR2 O43603 3/20 0.42
▸ GALR1 P47211 3/20 0.42

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
SCHEMBL3878462 0.93 HSD11B1 (0.42) HSD11B1GALR2GALR1
SCHEMBL3884829 0.90 TRPV1 (0.46) HSD11B1GALR2GALR1
SCHEMBL3888307 0.85 GALR2 (0.41) HSD11B1GALR2GALR1
SCHEMBL3878640 0.85 GALR2 (0.43) HSD11B1GALR2GALR1
SCHEMBL3877789 0.85 TRPV1 (0.46) HSD11B1GALR2GALR1
SCHEMBL13761493 0.85 GALR2 (0.40) HSD11B1GALR2GALR1
SCHEMBL3882111 0.84 GALR2 (0.40) HSD11B1GALR2GALR1
SCHEMBL3882315 0.84 GALR2 (0.43) HSD11B1GALR2GALR1
SCHEMBL3876046 0.84 HSD11B1 (0.43) HSD11B1GALR2GALR1
SCHEMBL3878777 0.83 GALR2 (0.43) HSD11B1GALR2GALR1

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