SCHEMBL30818658

SCHEMBL30818658

c1cc(N2CCOCC2)nc(N2CCCNCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.51
▸ CASP1 P29466 1/20 0.51
▸ CASP4 P49662 1/20 0.51
▸ CASP5 P51878 1/20 0.51
▸ HRH4 Q9H3N8 5/20 0.50
▸ ADRB1 P08588 1/20 0.48
▸ POLB P06746 1/20 0.45
▸ ROCK2 O75116 3/20 0.45
▸ ROCK1 Q13464 1/20 0.44
▸ PIM1 P11309 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ PIK3CD O00329 1/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43

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
SCHEMBL28637136 0.87 CASP1 (0.67) HRH3CASP1CASP4CASP5HRH4
SCHEMBL29519526 0.87 CASP1 (0.67) HRH3CASP1CASP4CASP5HRH4
SCHEMBL20000530 0.87 PIK3CA (0.51) PIK3CDPIK3R1PIK3CAPIK3CBKDM4E
SCHEMBL5457199 0.85 PIK3CA (0.55) HRH4PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL19725018 0.84 PIK3CA (0.49) PIK3CDPIK3R1PIK3CAPIK3CBKDM4E
SCHEMBL9069830 0.78 CASP1 (0.71) CASP1CASP4CASP5HRH4POLB
SCHEMBL8549105 0.77 GBA1 (0.56) HRH3CASP1CASP4CASP5HRH4
SCHEMBL1123812 0.76 MAPT (0.58) PIK3CDPIK3R1PIK3CAPIK3CBALDH1A1
SCHEMBL30818712 0.76 HRH3 (0.49) HRH3PIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL1309410 0.76 POLB (0.54) ADRB1POLBPIK3CDPIK3R1PIK3CA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4587435-A1 MODIFIED PROTEINS AND PROTEIN BINDERS AND DEGRADERS Cullgen (Shanghai), Inc. (CN) 2025-07-23 — — EP disclosed
WO-2024056077-A1 MODIFIED PROTEINS AND PROTEIN BINDERS AND DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2024-03-21 — — WO disclosed
Send feedback