SCHEMBL7992643

SCHEMBL7992643

C[C](C)CC1C=CCCC1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CHRNA6 Q15825 1/20 0.34

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
SCHEMBL7994790 0.94 CHRNB2 (0.33) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL7992425 0.86
SCHEMBL19263973 0.83 CHRNB2 (0.39) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL11798752 0.78 CHRNB2 (0.41) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL12208473 0.78 CHRNB2 (0.38) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL20262300 0.77 CHRNB2 (0.36) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL6077803 0.77 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9251598 0.77 CHRNB2 (0.40) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9249995 0.75 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL9249984 0.75 CHRNB2 (0.42) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102630226-A Entecavir synthesis method and intermediate compound thereof AUSUN PHARMATECH CO LTD 2012-08-08 CN disclosed
US-6277790-B1 APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT BASF AKTIENGESELLSCHAFT (DE) 2001-08-21 US disclosed
EP-1003741-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 2000-05-31 EP disclosed
WO-1999007702-A1 SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES BASF AKTIENGESELLSCHAFT (DE) 1999-02-18 WO disclosed
US-4935426-A FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1990-06-19 US disclosed