SCHEMBL30344226

SCHEMBL30344226

Cc1ccc(OCC2CCCN2C(=O)O)cc1C(=O)NC1(c2cccc3ccccc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 10/20 0.39
▸ HCRTR1 O43613 1/20 0.38
▸ HCRTR2 O43614 1/20 0.38
▸ CHRNB2 P17787 2/20 0.38
▸ CHRNB4 P30926 2/20 0.38
▸ CHRNA3 P32297 2/20 0.38
▸ CHRNB1 P11230 1/20 0.38
▸ CHRNB3 Q05901 1/20 0.38
▸ CHRNA4 P43681 1/20 0.37
▸ NR1D1 P20393 2/20 0.36

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
SCHEMBL30344911 0.91 CHRNB4 (0.47) FAAHCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL25155906 0.91 CHRNB4 (0.47) FAAHCHRNB2CHRNB4CHRNA3CHRNB1
SCHEMBL30343995 0.90 KDM1A (0.41) FAAHNR1D1
SCHEMBL25156235 0.90 KDM1A (0.41) FAAHNR1D1
SCHEMBL30344757 0.89 PREP (0.38) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL30344206 0.89 CHRNB4 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL25155195 0.89 CHRNB4 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3
SCHEMBL25155307 0.88 KDM1A (0.44) HCRTR1HCRTR2NR1D1
SCHEMBL30344795 0.88 KDM1A (0.44) HCRTR1HCRTR2NR1D1
SCHEMBL25156314 0.88 CHRNB4 (0.44) CHRNB2CHRNB4CHRNA3CHRNB1CHRNB3

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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