SCHEMBL31473801

SCHEMBL31473801

CN1CCC1COc1ccc(Br)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA3 P32297 4/20 0.60
CHRNB2 P17787 3/20 0.57
CHRNA4 P43681 3/20 0.57
CHRNB4 P30926 3/20 0.56
ESRRG P62508 2/20 0.52
ESRRB O95718 1/20 0.52
CHRNB1 P11230 1/20 0.51
CHRNB3 Q05901 1/20 0.51

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
SCHEMBL30434887 0.90 CHRNB2 (0.70) CHRNA3CHRNB2CHRNA4CHRNB4ESRRG
SCHEMBL2439661 0.77 CHRNB2 (0.85) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL13308148 0.77 CHRNB2 (0.85) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL23012677 0.77 ALDH1A1 (0.55)
SCHEMBL8437376 0.76 CHRNA3 (0.84) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL11448032 0.76 ESRRG (0.61) CHRNB2CHRNA4ESRRGESRRB
SCHEMBL7410490 0.76 CHRNA3 (0.84) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
Hydrochloric Acid SCHEMBL7459220 0.76 CHRNB2 (0.82) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL14174981 0.75 CHRNB2 (0.69) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1
SCHEMBL14577992 0.75 CHRNB2 (0.61) CHRNA3CHRNB2CHRNA4CHRNB4CHRNB1

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
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed