SCHEMBL30623345

SCHEMBL30623345

CCOC(=O)C1OC2(CCN(Cc3ccccc3)CC2)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 9/20 1.00
▸ ADRA2A P08913 1/20 0.61
▸ OPRM1 P35372 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ EBP Q15125 1/20 0.57
▸ SLC18A3 Q16572 1/20 0.57

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
SCHEMBL5315520 1.00 SIGMAR1 (1.00) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL25358883 0.85 SIGMAR1 (0.74) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL14529832 0.84 SIGMAR1 (0.72) SIGMAR1ADRA2A
SCHEMBL25358545 0.83 SIGMAR1 (0.70) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL3019948 0.78 SIGMAR1 (0.75) SIGMAR1
SCHEMBL14530329 0.77 SIGMAR1 (0.63) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL2360468 0.77 SIGMAR1 (0.72) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL2360466 0.77 SIGMAR1 (0.72) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL3403111 0.77 SIGMAR1 (0.72) SIGMAR1ADRA2AOPRM1OPRK1EBP
SCHEMBL25358487 0.76 SIGMAR1 (1.00) SIGMAR1ADRA2AOPRM1OPRK1SLC18A3

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-4476207-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME Vertex Pharmaceuticals Incorporated (US) 2024-12-18 — — EP disclosed
WO-2023154314-A1 SPIRO PIPERIDINE DERIVATIVES AS INHIBITORS OF APOL1 AND METHODS OF USING SAME VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
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