SCHEMBL11044933

SCHEMBL11044933

CCN(CC)C(=O)NC1CCC(NC(=O)N(CC)CC)CC1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
USP2 O75604 1/20 0.46
ALDH1A1 P00352 2/20 0.41
ADRA2A P08913 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
DRD3 P35462 1/20 0.39
EPHX2 P34913 1/20 0.38
PTGES O14684 1/20 0.38
EPHX1 P07099 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
TSHR P16473 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.37
MMP8 P22894 1/20 0.37

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
SCHEMBL11049209 1.00 DRD2 (0.47) DRD2USP2ALDH1A1ADRA2ASMN1; SMN2
SCHEMBL9547537 0.91 USP2 (0.50) DRD2USP2ALDH1A1ADRA2ASMN1; SMN2
SCHEMBL7560180 0.90 KMT2A (0.51) USP2ALDH1A1ADRA2ASMN1; SMN2NPSR1
SCHEMBL11723708 0.78 DRD2 (0.45) DRD2USP2NPSR1DRD3KDM5B
SCHEMBL7102443 0.77 ALDH1A1 (0.38) DRD2ALDH1A1ADRA2ASMN1; SMN2NPSR1
SCHEMBL7563697 0.74 EPHX1 (0.51) ALDH1A1ADRA2ASMN1; SMN2KMT2AEPHX2
SCHEMBL20377850 0.73 CA1 (0.45) DRD2ALDH1A1ADRA2ASMN1; SMN2KMT2A
SCHEMBL2051051 0.73
SCHEMBL18380886 0.73 CA1 (0.45) DRD2ALDH1A1ADRA2ASMN1; SMN2KMT2A
SCHEMBL13853792 0.73 KDM5B (0.48) DRD2USP2ALDH1A1SMN1; SMN2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10633516-B2 Polyamide compositions having improved optical properties BASF SE (DE) 2020-04-28 US disclosed
US-20180201758-A1 Polyamide Compositions Having Improved Optical Properties BASF SE (DE) 2018-07-19 US disclosed
WO-2017009357-A1 POLYAMIDE COMPOSITIONS HAVING IMPROVED OPTICAL PROPERTIES BASF SE (DE) 2017-01-19 WO disclosed
US-4486603-A Preparation of trans cyclohexane 1,4-diamine AKZONA INCORPORATED (US) 1984-12-04 US disclosed
US-4467114-A Preparation of trans cyclohexane 1,4-diurea AKZONA INCORPORATED (US) 1984-08-21 US disclosed
US-4457871-A Preparation of trans cyclohexane,1,4-diisocyanate and related compounds AKZONA INCORPORATED (US) 1984-07-03 US disclosed
US-4439370-A Preparation of trans cyclohexane 1,4-diisocyanate AKZONA INCORPORATED (US) 1984-03-27 US disclosed
US-4418211-A Preparation of trans-cyclohexane-1,4-disulphonyl urea AKZONA INCORPORATED (US) 1983-11-29 US disclosed
US-4275223-A Preparation of trans-cyclohexane-1,4-diurethanes AKZONA INCORPORATED (US) 1981-06-23 US disclosed
US-4203916-A Preparation of trans cyclohexane 1,4 diisocyanate AKZONA INCORPORATED (US) 1980-05-20 US disclosed