SCHEMBL20153492

SCHEMBL20153492

CCN1CCN(C(=O)C(C)[C@H]2NC(=O)[C@@H]2C(C)O)CC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 7/20 0.35
MMP2 P08253 1/20 0.34
ADAM17 P78536 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL17865766 1.00 CHRM1 (0.38) CHRM1KDM4EMEN1MAPTKMT2A
SCHEMBL17865736 1.00 CHRM1 (0.38) CHRM1KDM4EMEN1MAPTKMT2A
SCHEMBL17865726 0.90 HRH3 (0.35) KDM4EMMP2ADAM17ADAMTS5ALDH1A1
SCHEMBL20153498 0.90 HRH3 (0.35) KDM4EMMP2ADAM17ADAMTS5ALDH1A1
SCHEMBL17969616 0.90 HRH3 (0.35) KDM4EMMP2ADAM17ADAMTS5ALDH1A1
SCHEMBL20153499 0.86 MMP2 (0.32) MMP2ADAM17ADAMTS5
SCHEMBL17999632 0.85 PIK3CD (0.35) MEN1MAPTKMT2AMMP2ADAM17
SCHEMBL17865774 0.85 NPC1 (0.39) CHRM1MMP2ADAM17ADAMTS5
SCHEMBL17865773 0.85 NPC1 (0.39) CHRM1MMP2ADAM17ADAMTS5
SCHEMBL20952055 0.85 ALDH1A1 (0.35) KDM4EMEN1KMT2AMMP2ADAM17

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
US-9975879-B2 Beta lactams as modulators of glutamate uptake and methods for use thereof TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-05-22 US claimed