SCHEMBL3881067

SCHEMBL3881067

CCC(CCN)c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.40
GALR2 O43603 1/20 0.39
GALR1 P47211 1/20 0.39
TRPV1 Q8NER1 2/20 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
SCHEMBL3876842 0.87 HSD11B1 (0.49) HSD11B1TRPV1
SCHEMBL3876765 0.82 HSD11B1 (0.41) HSD11B1GALR2GALR1TRPV1
SCHEMBL3879153 0.82 HSD11B1 (0.47) HSD11B1
SCHEMBL3877152 0.82 HSD11B1 (0.47) HSD11B1GALR2GALR1
SCHEMBL3875989 0.82 HSD11B1 (0.48) HSD11B1TRPV1
SCHEMBL3880207 0.81 GALR2 (0.51) HSD11B1GALR2GALR1TRPV1
SCHEMBL3880107 0.81 HSD11B1 (0.43) HSD11B1GALR2GALR1
SCHEMBL3877637 0.81 HSD11B1 (0.46) HSD11B1GALR2GALR1
SCHEMBL3880010 0.80 GALR2 (0.47) HSD11B1GALR2GALR1TRPV1
SCHEMBL3880243 0.80 HSD11B1 (0.45) 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 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