SCHEMBL28479596

SCHEMBL28479596

C=CCN1CCCCCN1CC=C

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
CRHBP P24387 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CRHR2 Q13324 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL9553868 0.90 CYP3A4 (0.35) CYP3A4SMN1; SMN2
SCHEMBL861936 0.80
SCHEMBL87801 0.79
SCHEMBL486492 0.79
SCHEMBL1081392 0.79 HRH3 (0.39) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
Bromide SCHEMBL10332289 0.77 HRH3 (0.38) MEN1KMT2AALDH1A1LMNA
Iodide SCHEMBL28911088 0.77 SMN1; SMN2 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1LMNA
SCHEMBL594955 0.77 CYP3A4 (0.31) CYP3A4
Bromide SCHEMBL1471663 0.77 HRH3 (0.38) MEN1KMT2AALDH1A1LMNA
Ammonia Solution, Strong SCHEMBL1934293 0.77 HRH3 (0.38) SMN1; SMN2MEN1KMT2AALDH1A1LMNA

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
CN-111902150-A Surface and coating compositions having antifouling, antithrombotic and antibacterial properties and methods of making 乔治亚大学研究基金公司 2020-11-06 CN disclosed