SCHEMBL21200544

SCHEMBL21200544

CN1CCN(c2cc(C(=O)O)nc(C3CC3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRM3 P20309 4/20 0.48
▸ PDE4A P27815 4/20 0.48
▸ PDE4B Q07343 4/20 0.48
▸ PDE4C Q08493 4/20 0.48
▸ PDE4D Q08499 4/20 0.48
▸ HRH4 Q9H3N8 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CXCR4 P61073 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ NAPEPLD Q6IQ20 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
SCHEMBL29866760 1.00 CHRM3 (0.48) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21200767 0.85 KDM4E (0.48) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL29867435 0.85 KDM4E (0.48) CHRM3PDE4APDE4BPDE4CPDE4D
Hydrochloric Acid SCHEMBL5220791 0.82 CHRM3 (0.47) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21211937 0.81 CHRM3 (0.54) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL29867676 0.78 OPRM1 (0.36) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL21200131 0.77 SMYD3 (0.35) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL31079081 0.77 TP53 (0.47) HRH4KDM4EALDH1A1KMT2AHRH3
SCHEMBL21200816 0.76 KHK (0.43) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL5220789 0.75 CKS1B (0.53) —

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-3743063-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF Nurix Therapeutics, Inc. (US) 2020-12-02 — — EP disclosed
WO-2019148005-A1 INHIBITORS OF CBL-B AND METHODS OF USE THEREOF NURIX THERAPEUTICS, INC. (US) 2019-08-01 — — WO disclosed
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