SCHEMBL25358467

SCHEMBL25358467

C[C@H]1CC2(CCN1C(=O)O)CC(=O)c1ccc(Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.36
▸ HSD11B1 P28845 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ SIGMAR1 Q99720 3/20 0.35
▸ AKR1B1 P15121 3/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CCR5 P51681 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SDCBP O00560 1/20 0.32
▸ SDC2 P34741 1/20 0.32
▸ OTUD7B Q6GQQ9 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
SCHEMBL30623350 0.85 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL26016812 0.85 ALDH1A1 (0.38) MEN1KMT2A
SCHEMBL25357867 0.78 HSD11B1 (0.40) NOTUMHSD11B1AKR1B1MEN1KMT2A
SCHEMBL30623425 0.72 MEN1 (0.46) MEN1KMT2A
SCHEMBL2187569 0.72 MEN1 (0.46) MEN1KMT2A
SCHEMBL17205567 0.70 USP30 (0.48) NOTUMMEN1KMT2A
SCHEMBL25357142 0.70 AKR1B1 (0.38) NOTUMSIGMAR1AKR1B1MEN1KMT2A
SCHEMBL13000679 0.70 ALDH1A1 (0.40) HSD11B1MEN1KMT2ADRD2
SCHEMBL13001434 0.70 ALDH1A1 (0.40) HSD11B1MEN1KMT2ADRD2
SCHEMBL25357843 0.68 AVPR1A (0.33) NOTUMAKR1B1MEN1KMT2A

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-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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