SCHEMBL20680930

SCHEMBL20680930

CN1CCC[C@H]1c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.67
CHRNB4 P30926 1/20 0.67
CHRNA3 P32297 1/20 0.67
CHRNA7 P36544 1/20 0.67
CHRNA4 P43681 1/20 0.67

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
SCHEMBL1117990 1.00 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL31276571 0.94 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7681449 0.84 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL7685674 0.83 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL19865655 0.82 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13162081 0.82 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL21399970 0.82 CHRNB2 (0.69) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL433751 0.81 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22917190 0.81 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18089306 0.81 CHRNB2 (0.67) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3658539-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis Inflammasome Research, Inc. (US) 2020-06-03 EP disclosed
WO-2019023147-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY IFM Tre, Inc. (US) 2019-01-31 WO disclosed