SCHEMBL24063593

SCHEMBL24063593

CCC(C)C(=O)C(N)CCCN

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 1/20 0.45
▸ DPP7 Q9UHL4 7/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ DPP9 Q86TI2 2/20 0.41
▸ DPP4 P27487 2/20 0.41
▸ GNAI3 P08754 1/20 0.40
▸ GNAO1 P09471 1/20 0.40
▸ GNAI1 P63096 1/20 0.40
▸ GABRR1 P24046 2/20 0.39
▸ SLC15A1 P46059 1/20 0.38
▸ RRM1 P23921 1/20 0.35
▸ CPB2 Q96IY4 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
SCHEMBL18868716 1.00 GSR (0.45) GSRDPP7DPP8DPP9DPP4
SCHEMBL12833333 0.94 GSR (0.53) GSRDPP7DPP8DPP9DPP4
SCHEMBL21103612 0.94 GSR (0.53) GSRDPP7DPP8DPP9DPP4
SCHEMBL18868852 0.94 GSR (0.53) GSRDPP7DPP8DPP9DPP4
SCHEMBL24449947 0.92 GSR (0.52) GSRDPP7DPP8DPP9DPP4
SCHEMBL20388742 0.88 GABRR1 (0.46) GSRDPP7DPP8DPP9GABRR1
SCHEMBL18819968 0.88 GABRR1 (0.46) GSRDPP7DPP8DPP9GABRR1
SCHEMBL25858686 0.85 DPP7 (0.50) GSRDPP7DPP8DPP9DPP4
SCHEMBL12278737 0.81 GSR (0.50) GSRDPP7DPP8DPP9DPP4
SCHEMBL17173859 0.81 GSR (0.50) GSRDPP7DPP8DPP9DPP4

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-3728218-B1 AMINO INDOLE COMPOUNDS USEFUL AS TLR INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-12-01 — — EP disclosed
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