SCHEMBL31722347

SCHEMBL31722347

COC(=O)c1ccc(N2CCC(C(OC)OC)CC2)cn1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.59
▸ MAPK1 P28482 2/20 0.44
▸ TGM2 P21980 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ OPRK1 P41145 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ACKR3 P25106 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
Lithium Ion SCHEMBL31722606 0.86 HRH3 (0.45) HRH3NPC1RAB9AKMT2AMAPT
SCHEMBL31198943 0.85 HRH3 (0.52) HRH3MAPK1TGM2GPR119NPC1
SCHEMBL30680858 0.82 HRH3 (0.58) HRH3MAPK1TGM2GPR119MAPT
SCHEMBL22629266 0.82 HRH3 (0.58) HRH3MAPK1NPC1RAB9AKMT2A
SCHEMBL24421142 0.82 HRH3 (0.58) HRH3MAPK1TGM2GPR119MAPT
SCHEMBL31752976 0.81 HRH3 (0.57) HRH3MAPK1TGM2GPR119NPC1
SCHEMBL7130127 0.80 ALDH1A1 (0.57) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL14875984 0.80 HRH3 (0.57) HRH3MAPK1NPC1RAB9AKMT2A
SCHEMBL30723925 0.79 CHRNB2 (0.53) HRH3MAPT
SCHEMBL64453 0.79 HRH3 (0.54) HRH3MAPK1NPC1RAB9AKMT2A

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
WO-2025262297-A1 PROTAC DEGRADERS OF MLLT1 AND/OR MLLT3 DARK BLUE THERAPEUTICS LTD (GB) 2025-12-26 — — WO disclosed
WO-2025228947-A1 BIFUNCTIONAL COMPOUNDS CAPABLE OF INDUCING DEGRADATION OF POLO-LIKE KINASE1 CROSSFIRE ONCOLOGY B.V. (NL) 2025-11-06 — — WO disclosed
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