Sugi Predict

Sugi Predict / Compounds / SCHEMBL3879378

SCHEMBL3879378

SCHEMBL3879378

CC1CCCN1c1nc(-c2ccc(F)c(Cl)c2)cc(N2CCN(c3ncccc3C(F)(F)F)CC2)n1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.47
▸ GALR2 O43603 4/20 0.45
▸ GALR1 P47211 4/20 0.45
▸ HSD11B1 P28845 6/20 0.41

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
SCHEMBL3876175 0.98 TRPV1 (0.48) TRPV1GALR2GALR1HSD11B1
SCHEMBL3952712 0.95 GALR2 (0.44) TRPV1GALR2GALR1HSD11B1
SCHEMBL3878606 0.93 TRPV1 (0.45) TRPV1GALR2GALR1HSD11B1
SCHEMBL3888879 0.93 TRPV1 (0.49) TRPV1GALR2GALR1
SCHEMBL3889943 0.91 TRPV1 (0.48) TRPV1GALR2GALR1
SCHEMBL3878956 0.91 MALT1 (0.38) TRPV1GALR2GALR1
SCHEMBL3878041 0.91 MALT1 (0.44) TRPV1
SCHEMBL3884097 0.90 GALR2 (0.44) TRPV1GALR2GALR1HSD11B1
SCHEMBL3879911 0.89 GALR2 (0.42) TRPV1GALR2GALR1HSD11B1
SCHEMBL3875754 0.89 TRPV1 (0.37) TRPV1

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