SCHEMBL3881863

SCHEMBL3881863

Cc1cc(-c2cc(N3CCN(c4ncccc4C(F)(F)F)C[C@H]3C)nc(N3CCCCC3)n2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GALR2 O43603 4/20 0.49
GALR1 P47211 4/20 0.49
TRPV1 Q8NER1 6/20 0.46
HSD11B1 P28845 3/20 0.40
RBP4 P02753 1/20 0.39

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
SCHEMBL3878981 0.99 GALR2 (0.48) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3878708 0.94 GALR2 (0.49) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3885547 0.93 TRPV1 (0.45) GALR2GALR1TRPV1HSD11B1
SCHEMBL3883969 0.93 GALR2 (0.47) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3887226 0.92 TRPV1 (0.45) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3953510 0.91 TRPV1 (0.45) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3942023 0.91 GALR2 (0.47) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3950502 0.91 TRPV1 (0.46) GALR2GALR1TRPV1HSD11B1RBP4
SCHEMBL3877829 0.91 GALR2 (0.49) GALR2GALR1TRPV1HSD11B1
SCHEMBL3878649 0.90 TRPV1 (0.46) GALR2GALR1TRPV1HSD11B1RBP4

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