SCHEMBL24259720

SCHEMBL24259720

CCSC[C@H](N)C(=O)NCCN

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 11/20 0.49
DPP7 Q9UHL4 2/20 0.49
RRM1 P23921 1/20 0.47
GNAI3 P08754 1/20 0.45
GNAO1 P09471 1/20 0.45
GNAI1 P63096 1/20 0.45
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
S1PR2 O95136 2/20 0.36
S1PR1 P21453 2/20 0.36
S1PR3 Q99500 2/20 0.36
S1PR5 Q9H228 1/20 0.36

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
SCHEMBL11114536 0.87 DPP7 (0.49) TLR2DPP7RRM1GNAI3GNAO1
SCHEMBL11114906 0.84 DPP7 (0.59) TLR2DPP7RRM1GNAI3GNAO1
SCHEMBL19401566 0.84 TLR2 (0.48) TLR2DPP7RRM1GNAI3GNAO1
SCHEMBL11112359 0.82 DPP7 (0.39) TLR2DPP7RRM1GNAI3GNAO1
Hydrochloric Acid SCHEMBL11110122 0.82 DPP7 (0.57) TLR2DPP7RRM1GNAI3GNAO1
SCHEMBL11109536 0.82 DPP7 (0.67) TLR2DPP7RRM1GNAI3GNAO1
Hydrochloric Acid SCHEMBL11111559 0.81 DPP7 (0.38) TLR2DPP7RRM1GNAI3GNAO1
SCHEMBL11111978 0.81 DPP7 (0.65) TLR2DPP7RRM1GNAI3GNAO1
Hydrochloric Acid SCHEMBL11122478 0.80 DPP7 (0.63) TLR2DPP7RRM1GNAI3GNAO1
SCHEMBL24256577 0.77 DPP7 (0.37) TLR2DPP7RRM1GNAI3GNAO1

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-3432934-B1 PRODRUGS OF CYTOTOXIC AGENTS WITH ENZYMATICALLY CLEAVABLE GROUPS Bayer Pharma AG (DE) 2022-02-23 EP disclosed