SCHEMBL24565686

SCHEMBL24565686

CN1CCCC[C@H]1COc1cc(N)cc(C(F)(F)F)c1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 5/20 0.56
CHRNA3 P32297 5/20 0.56
CHRNB2 P17787 3/20 0.56
CHRNB1 P11230 2/20 0.56
CHRNB3 Q05901 2/20 0.56
CHRNA4 P43681 1/20 0.46

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
SCHEMBL24565689 1.00 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL24565690 1.00 CHRNB4 (0.56) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL447049 0.96 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL450027 0.96 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL447762 0.96 CHRNB4 (0.60) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL13867982 0.82 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL15037237 0.82 CHRNB4 (0.61) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL25594625 0.82 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL15032896 0.82 CHRNB4 (0.65) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL6521793 0.82 CHRNB1 (0.45) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3

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
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed