SCHEMBL25852559

SCHEMBL25852559

Cc1cncc(N2CCC(O)C2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 7/20 0.59
▸ CHRNB4 P30926 7/20 0.59
▸ CHRNA3 P32297 7/20 0.59
▸ CHRNA4 P43681 7/20 0.59
▸ CCR6 P51684 2/20 0.45
▸ LRRK2 Q5S007 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ AR P10275 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ NOTUM Q6P988 1/20 0.38

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
SCHEMBL13778339 0.90 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CCR6
SCHEMBL20694289 0.81 AR (0.45) CHRNB2CHRNB4CHRNA3CHRNA4AR
SCHEMBL16938289 0.81 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4CYP3A4
SCHEMBL5404714 0.81 CHRNB4 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CCR6
SCHEMBL17796709 0.81 CCR6 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CCR6
SCHEMBL23707244 0.81 CCR6 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CCR6
SCHEMBL15205522 0.81 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA4CCR6
SCHEMBL25855696 0.80 CCR6 (0.55) CHRNB2CHRNB4CHRNA3CHRNA4CCR6
SCHEMBL24528582 0.78 CHRNB2 (0.57) CHRNB2CHRNB4CHRNA3CHRNA4CYP3A4
SCHEMBL26951386 0.78 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4CCR6

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-2023107723-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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