SCHEMBL11082124

SCHEMBL11082124

CC1CN(C(N)=O)CC1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 17/20 0.40
CHRNA3 P32297 17/20 0.40
CHRNA4 P43681 17/20 0.40
CHRNB3 Q05901 7/20 0.40
CHRNA6 Q15825 7/20 0.40
CHRNB4 P30926 10/20 0.38
CHRNA7 P36544 9/20 0.38
EPHX1 P07099 1/20 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
SCHEMBL14708495 0.84 PDE4B (0.35) EPHX1
SCHEMBL13634298 0.83
SCHEMBL7329606 0.79 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7329600 0.79 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL5386339 0.79 GAA (0.46) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20577099 0.78
SCHEMBL3867623 0.77 SMN1; SMN2 (0.50)
SCHEMBL7290017 0.77 CHRNB2 (0.32) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL3867618 0.77 SMN1; SMN2 (0.50)
SCHEMBL3867628 0.77 SMN1; SMN2 (0.50)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 US claimed
US-4432985-A N-alkylated carboxylic acid derivatives as anti-convulsant agents ABBOTT LABORATORIES (US) 1984-02-21 US disclosed