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Sugi Predict / Compounds / SCHEMBL3880243

SCHEMBL3880243

SCHEMBL3880243

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

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 11/20 0.45
▸ GALR2 O43603 2/20 0.41
▸ GALR1 P47211 2/20 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
SCHEMBL3878651 0.93 HSD11B1 (0.43) HSD11B1GALR2GALR1
SCHEMBL3880107 0.90 HSD11B1 (0.43) HSD11B1GALR2GALR1
SCHEMBL3889392 0.89 HSD11B1 (0.47) HSD11B1GALR2GALR1
SCHEMBL3881354 0.87 TRPV1 (0.48) HSD11B1GALR2GALR1
SCHEMBL13761395 0.87 HSD11B1 (0.43) HSD11B1GALR2GALR1
SCHEMBL3881062 0.87 HSD11B1 (0.41) HSD11B1GALR2GALR1
SCHEMBL3891329 0.86 HSD11B1 (0.45) HSD11B1GALR2GALR1
SCHEMBL13761373 0.86 TRPV1 (0.45) HSD11B1GALR2GALR1
SCHEMBL3879463 0.86 HSD11B1 (0.42) HSD11B1GALR2GALR1
SCHEMBL3882111 0.84 GALR2 (0.40) 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 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