SCHEMBL3877583

SCHEMBL3877583

Fc1ccc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)CC3)nc(OCC3CCCO3)n2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AXL P30530 16/20 0.40
HSD11B1 P28845 2/20 0.38
MET P08581 1/20 0.38
MERTK Q12866 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
SCHEMBL14613857 0.91 AXL (0.42) AXL
SCHEMBL3880001 0.88 HSD11B1 (0.42) HSD11B1
SCHEMBL3878480 0.84 EPHX2 (0.40) HSD11B1
SCHEMBL3878963 0.83 TRPV1 (0.48) HSD11B1
SCHEMBL3943144 0.83 HSD11B1 (0.42) AXLHSD11B1
SCHEMBL3877822 0.83 HSD11B1 (0.42) HSD11B1
SCHEMBL3878811 0.82 GALR2 (0.46) HSD11B1
SCHEMBL3884954 0.82 HSD11B1 (0.42) HSD11B1
SCHEMBL3888133 0.82 TRPV1 (0.49) HSD11B1
SCHEMBL3877153 0.80 EPHX2 (0.45) HSD11B1

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