SCHEMBL22784198

SCHEMBL22784198

CCOC(=O)CCC1(C)C=CN(C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33
▸ OPRM1 P35372 3/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KAT2B Q92831 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CYP4F2 P78329 1/20 0.32

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
SCHEMBL22784199 0.80 NPC1 (0.32) CYP1A2
SCHEMBL10733702 0.71 GSK3A (0.36) CYP1A2TSHRLMNAALDH1A1L3MBTL1
SCHEMBL4702420 0.69 CYP1A2 (0.45) CYP1A2TSHRLMNAPOLBALDH1A1
SCHEMBL22784200 0.69 HCAR2 (0.38) LMNAALDH1A1RAB9AOPRM1SLC22A1
SCHEMBL22777434 0.67 TSHR (0.42) CYP1A2TSHRLMNAPOLBALDH1A1
SCHEMBL1863674 0.67 CYP1A2 (0.47) CYP1A2TSHRLMNAPOLBALDH1A1
SCHEMBL28078421 0.66 CYP1A2 (0.45) CYP1A2TSHRLMNAPOLBALDH1A1
SCHEMBL23484497 0.64 CYP1A2 (0.44) CYP1A2TSHRLMNAPOLBALDH1A1
SCHEMBL5109822 0.64 CYP1A2 (0.44) CYP1A2TSHRLMNAPOLBALDH1A1
SCHEMBL2352990 0.64 ALDH1A1 (0.45) CYP1A2TSHRLMNAPOLBALDH1A1

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-2020252222-A1 PROGRANULIN MODULATORS AND METHODS OF USING THE SAME ARKUDA THERAPEUTICS (US) 2020-12-17 — — WO disclosed
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