SCHEMBL30623443

SCHEMBL30623443

CC1CC2(CCN1C(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 9/20 0.46
▸ RXRA P19793 8/20 0.46
▸ NR1H3 Q13133 8/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ IP6K1 Q92551 8/20 0.44
▸ IP6K3 Q96PC2 1/20 0.44
▸ IP6K2 Q9UHH9 1/20 0.44
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL25360760 1.00 NR1H2 (0.46) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL23648571 0.84 IP6K1 (0.55) MEN1KMT2AIP6K1IP6K3IP6K2
SCHEMBL3725089 0.82 IP6K1 (0.51) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL24454023 0.82 IP6K1 (0.40) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL24451644 0.82 IP6K1 (0.40) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL24451648 0.79 IMPDH2 (0.40) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL24454022 0.79 IMPDH2 (0.40) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL26007667 0.79 MEN1 (0.43) MEN1KMT2AIP6K1IP6K3IP6K2
SCHEMBL30623350 0.78 ALDH1A1 (0.38) NR1H2RXRANR1H3MEN1KMT2A
SCHEMBL26016812 0.78 ALDH1A1 (0.38) NR1H2RXRANR1H3MEN1KMT2A

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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