SCHEMBL22730105

SCHEMBL22730105

CCOc1nc(N2CCN(C(=O)O)CC2)ccc1C(=O)NCC(O)[C@@H]1Cc2ccccc2CN1

nearest known ligand 0.90

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 16/20 0.90
▸ IDH1 O75874 3/20 0.42
▸ SMYD3 Q9H7B4 1/20 0.42

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
SCHEMBL22730104 1.00 PRMT5 (0.90) PRMT5IDH1SMYD3
SCHEMBL22730106 1.00 PRMT5 (0.90) PRMT5IDH1SMYD3
SCHEMBL22449417 0.94 PRMT5 (1.00) PRMT5IDH1SMYD3
SCHEMBL19346800 0.94 PRMT5 (1.00) PRMT5IDH1SMYD3
SCHEMBL22449416 0.94 PRMT5 (1.00) PRMT5IDH1SMYD3
Hydrochloric Acid SCHEMBL19329688 0.94 PRMT5 (0.98) PRMT5IDH1SMYD3
Hydrochloric Acid SCHEMBL22449428 0.94 PRMT5 (0.98) PRMT5IDH1SMYD3
Hydrochloric Acid SCHEMBL19329687 0.94 PRMT5 (0.98) PRMT5IDH1SMYD3
SCHEMBL22449430 0.93 PRMT5 (1.00) PRMT5IDH1SMYD3
SCHEMBL22449431 0.93 PRMT5 (1.00) PRMT5IDH1SMYD3

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
EP-3426351-B1 BENZOPIPERIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER AND HEMOGLOBINOPATHIES CTXT PTY LTD (AU) 2020-12-09 — — EP claimed
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