SCHEMBL25911366

SCHEMBL25911366

CNCCCC(C(=O)NCCC=O)N(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.37
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL25911303 0.78 KDM4E (0.34)
SCHEMBL6856367 0.77 KISS1R (0.38) KISS1RUSP2TSHR
SCHEMBL19606194 0.76 CHRNB2 (0.32) TSHR
SCHEMBL29313570 0.72 USP2 (0.44) KISS1RUSP2TSHR
SCHEMBL29315304 0.72 USP2 (0.44) KISS1RUSP2TSHR
SCHEMBL18573018 0.71 ECE1 (0.38)
SCHEMBL20411570 0.71 ECE1 (0.38)
SCHEMBL20411641 0.71 ECE1 (0.38)
SCHEMBL20411646 0.71 ECE1 (0.38)
SCHEMBL20411592 0.71 ECE1 (0.38)

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
EP-3304058-B1 REAGENTS FOR QUANTITATIVE MASS SPECTROMETRY HARVARD COLLEGE (US) 2023-08-02 EP disclosed