SCHEMBL22725606

SCHEMBL22725606

CCCCc1cnc(C(C)C)cc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB5 P28074 1/20 0.39
▸ GCGR P47871 1/20 0.39
▸ BRS3 P32247 4/20 0.38
▸ SOAT1 P35610 1/20 0.37
▸ GABRP O00591 1/20 0.37
▸ GABRD O14764 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRB1 P18505 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37
▸ GABRA4 P48169 1/20 0.37
▸ GABRE P78334 1/20 0.37
▸ GABRA6 Q16445 1/20 0.37
▸ GABRG1 Q8N1C3 1/20 0.37
▸ GABRG3 Q99928 1/20 0.37
▸ GABRQ Q9UN88 1/20 0.37

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
SCHEMBL22725611 0.78 GABRP (0.37) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11323213 0.70 PSMB5 (0.42) PSMB5TLR8HSD11B1
SCHEMBL16414535 0.69 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10661755 0.69 PSMB5 (0.44) PSMB5HSD11B1
SCHEMBL367335 0.69 DPP4 (0.52) PSMB5SOAT1HSD11B1
SCHEMBL11994136 0.68 MC4R (0.46) PSMB5
SCHEMBL27424929 0.68 DPP4 (0.50) PSMB5SOAT1HSD11B1
Phosphine SCHEMBL27550721 0.68 DPP4 (0.50) PSMB5SOAT1HSD11B1
Ethane SCHEMBL1275986 0.68 DPP4 (0.50) PSMB5SOAT1HSD11B1
SCHEMBL28825457 0.68 DPP4 (0.50) PSMB5SOAT1HSD11B1

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-2020243519-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-03 — — WO disclosed
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