SCHEMBL9029025

SCHEMBL9029025

CCC(=O)N(CCCCCCCCCCc1c(OC)ccc2[nH]c(-c3ccc(OC)cc3)c(C)c12)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
TLR7 Q9NYK1 9/20 0.37
TLR9 Q9NR96 8/20 0.37
TLR8 Q9NR97 5/20 0.36
TACR1 P25103 1/20 0.36
OPRM1 P35372 1/20 0.36
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CCNB3 Q8WWL7 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
SCHEMBL9028683 0.84 CCNB2 (0.40) TLR7TLR9TLR8CCNB2CDK1
SCHEMBL9029036 0.81 TLR9 (0.41) TLR7TLR9TLR8TACR1CCNB2
SCHEMBL9027913 0.77 CCNB2 (0.42) TLR7TLR9TACR1CCNB2CDK1
SCHEMBL7696222 0.77 CCNB2 (0.42) TLR7TLR9TACR1CCNB2CDK1
SCHEMBL8789634 0.75 CCNB2 (0.47) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789465 0.75 CCNB2 (0.42) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL8789573 0.75 BCHE (0.38) TLR7TLR9TLR8CCNB2CDK1
SCHEMBL8791452 0.75 CCNB2 (0.48) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL9026910 0.74 CCNB2 (0.40) TLR7TLR9TACR1CCNB2CDK1
SCHEMBL8790583 0.73 CCNB2 (0.41) TLR7TLR9TLR8CCNB2CDK1

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
EP-0736008-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1996-10-09 EP disclosed
WO-1995017383-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1995-06-29 WO disclosed