SCHEMBL28633602

SCHEMBL28633602

CC(C)=CCCC(C)=CCNCC(N)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.53
MMP2 P08253 2/20 0.44
EPHX1 P07099 1/20 0.41

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
SCHEMBL28633600 0.78 TRPV1 (0.52) TRPV1
SCHEMBL15571930 0.78 TRPV1 (0.65) TRPV1
SCHEMBL4694284 0.77 CSNK1E (0.47) MMP2EPHX1
SCHEMBL795518 0.76 TRPV1 (0.46) TRPV1
SCHEMBL795519 0.76 TRPV1 (0.46) TRPV1
SCHEMBL7353511 0.76 LTA4H (0.56)
SCHEMBL15303011 0.73 TRPV1 (0.48) TRPV1
SCHEMBL21693905 0.73 TRPV1 (0.48) TRPV1
SCHEMBL794719 0.73 TRPV1 (0.48) TRPV1
SCHEMBL3275029 0.72 TRPV1 (0.58) TRPV1

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
CN-113227036-B Ethylenediamine compound and application thereof 中国人民解放军军事科学院军事医学研究院 2023-04-11 CN disclosed
CN-113227036-A Ethylenediamine compound and application thereof 中国人民解放军军事科学院军事医学研究院 2021-08-06 CN disclosed