SCHEMBL16588792

SCHEMBL16588792

O=C1CCC(N(c2ccccc2)c2ccccc2)CCO1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CCR5 P51681 7/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNA3 P22001 1/20 0.34
CTRB1 P17538 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
KCNH2 Q12809 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL16588672 0.92 KCNA3 (0.39) CA1CA9CCR5SLC6A2SLC6A4
SCHEMBL14741953 0.90 CA1 (0.41) CA1CA9CCR5SLC6A2SLC6A4
SCHEMBL14741833 0.85 USP2 (0.33) CCR5SLC6A2SLC6A4KCNA3ALDH1A1
SCHEMBL16588653 0.85 SLC6A2 (0.35) CCR5SLC6A2SLC6A4KCNA3CTRB1
SCHEMBL16588779 0.81 CTRB1 (0.33) CA1CA9CTRB1ALDH1A1
SCHEMBL16588804 0.79 CTRB1 (0.31) CA1CA9CTRB1
SCHEMBL21047840 0.78 SLC6A2 (0.39) CCR5SLC6A2SLC6A4KCNA3ALDH1A1
SCHEMBL14741786 0.77 CYP2D6 (0.38) CCR5SLC6A2SLC6A4KCNA3ALDH1A1
SCHEMBL14741925 0.76 CA1 (0.32) CA1CA9CTRB1
SCHEMBL14741836 0.75 KCNA3 (0.36) CA1CA9CCR5KCNA3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8993683-B2 Polymers functionalized with lactones or thiolactones containing a protected amino group BRIDGESTONE CORPORATION (JP) 2015-03-31 US claimed
CN-103857704-A Polymers functionalized with lactones or thiolactones containing a protected amino group BRIDGESTONE CORP 2014-06-11 CN claimed
CN-103857704-B By the lactone containing shielded amino or the functionalized polymkeric substance of thiolactone BRIDGESTONE CO.,LTD. (JP) 2016-02-17 CN disclosed
EP-2751142-B1 POLYMERS FUNCTIONALIZED WITH LACTONES OR THIOLACTONES CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORP (JP) 2015-12-09 EP disclosed
US-8993683-B2 Polymers functionalized with lactones or thiolactones containing a protected amino group BRIDGESTONE CORPORATION (JP) 2015-03-31 US disclosed
CN-103857704-A Polymers functionalized with lactones or thiolactones containing a protected amino group BRIDGESTONE CORP 2014-06-11 CN disclosed