SCHEMBL3884882

SCHEMBL3884882

Cc1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)nc(N3CCC3(C)C)n2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.43
GALR2 O43603 3/20 0.39
GALR1 P47211 3/20 0.39
HSD11B1 P28845 3/20 0.38
RBP4 P02753 1/20 0.37

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
SCHEMBL3885552 0.90 GALR2 (0.47) GALR2GALR1HSD11B1
SCHEMBL3885547 0.88 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1
SCHEMBL3950502 0.88 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3878981 0.88 GALR2 (0.48) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3878649 0.88 TRPV1 (0.46) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3881863 0.88 GALR2 (0.49) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3953510 0.87 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3887226 0.86 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3880211 0.84 TRPV1 (0.43) TRPV1GALR2GALR1HSD11B1RBP4
SCHEMBL3880923 0.82 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1

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