SCHEMBL9012393

SCHEMBL9012393

COC(=O)C1CC2CC1CC2N=C=S

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.37
NAAA Q02083 4/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
MMP2 P08253 2/20 0.32
ANPEP P15144 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL364134 0.83 APLNR (0.32) APLNR
SCHEMBL22617434 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL6941026 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL27006186 0.78 CHRNB2 (0.46) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL22614581 0.75 APLNR (0.42) APLNR
SCHEMBL22614578 0.75 APLNR (0.42) APLNR
SCHEMBL24324078 0.75 APLNR (0.42) APLNRNAAACHRM2CHRM4CHRM3
SCHEMBL9012644 0.74 APLNR (0.35) APLNRNAAACHRNB2CHRNA4CHRM2
SCHEMBL22617335 0.70 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15440659 0.70 CHRNB2 (0.41) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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
US-5589504-A Treatment of newborn jaundice CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-31 US disclosed