SCHEMBL25155441

SCHEMBL25155441

Cc1ccc(OC[C@@H]2CCN2C)cc1C(=O)NC1(c2cccc3ccccc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CHRNB4 P30926 4/20 0.44
▸ CHRNA3 P32297 4/20 0.44
▸ CHRNB2 P17787 2/20 0.40
▸ CHRNB1 P11230 1/20 0.40
▸ CHRNB3 Q05901 1/20 0.40
▸ CHRNA4 P43681 1/20 0.39
▸ NR1D1 P20393 1/20 0.37

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
SCHEMBL25156314 1.00 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL30344681 1.00 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL30344086 1.00 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL25156029 1.00 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL31360053 1.00 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL25155906 0.95 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL30344911 0.95 CHRNB4 (0.47) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL25155195 0.94 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL30344206 0.94 CHRNB4 (0.44) CHRNB4CHRNA3CHRNB2CHRNB1CHRNB3
SCHEMBL25155534 0.92 CHRNB4 (0.42) 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-2023064493-A1 COMPOUNDS AND METHODS FOR TREATING CORONAVIRUSES Clear Creek Bio, Inc. (US) 2023-04-20 — — WO disclosed
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