SCHEMBL24728547

SCHEMBL24728547

CNCCC(NC)C(=O)NC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.37
BMP1 P13497 3/20 0.34
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
HTR2A P28223 1/20 0.30
HRH1 P35367 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
SCHEMBL13416823 0.85 KISS1R (0.42) KISS1RBMP1MMP2MMP9
SCHEMBL14002537 0.83 USP2 (0.40) KISS1RMMP8
SCHEMBL20366275 0.82 GABRR1 (0.38) BMP1MMP2MMP9MMP8
SCHEMBL10442144 0.82 GABRR1 (0.38) BMP1MMP2MMP9MMP8
SCHEMBL14004828 0.81 USP2 (0.39) KISS1RMMP8
SCHEMBL25771562 0.81 BMP1 (0.32) BMP1
SCHEMBL19057929 0.81 MTNR1A (0.42) KISS1RBMP1MMP2MMP9
SCHEMBL24728478 0.81 MMP2 (0.33) KISS1RBMP1MMP2MMP9MMP8
SCHEMBL25771566 0.79 BMP1 (0.31) BMP1
SCHEMBL13227770 0.79 HDAC7 (0.43) BMP1MMP2HTR2AHRH1

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
WO-2022253284-A1 DRUG CONJUGATE AND USE THEREOF 百奥泰生物制药股份有限公司 2022-12-08 WO disclosed