SCHEMBL27312840

SCHEMBL27312840

COC(=O)N1CCC(C)C1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.44
▸ WDR77 Q9BQA1 2/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RIPK1 Q13546 2/20 0.43
▸ SLC6A2 P23975 2/20 0.42
▸ SLC6A4 P31645 2/20 0.42
▸ SLC6A3 Q01959 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ HCRTR2 O43614 3/20 0.40
▸ GAA P10253 1/20 0.40
▸ PSEN1 P49768 1/20 0.40
▸ PSEN2 P49810 1/20 0.40
▸ APH1B Q8WW43 1/20 0.40
▸ NCSTN Q92542 1/20 0.40
▸ APH1A Q96BI3 1/20 0.40
▸ PSENEN Q9NZ42 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ADAM10 O14672 1/20 0.39
▸ MMP2 P08253 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
SCHEMBL14068810 0.85 GPR119 (0.48) PRMT5WDR77RIPK1HCRTR2
SCHEMBL14077690 0.82 SMN1; SMN2 (0.51) —
SCHEMBL25900611 0.81 MEN1 (0.44) MEN1KMT2ARIPK1SLC6A2SLC6A4
SCHEMBL19500994 0.74 RIPK1 (0.71) PRMT5WDR77MEN1KMT2ARIPK1
SCHEMBL22805991 0.74 SLC6A2 (0.47) RIPK1SLC6A2SLC6A4SLC6A3HCRTR2
SCHEMBL10002512 0.74 RIPK1 (0.64) PRMT5WDR77MEN1KMT2ARIPK1
SCHEMBL22355835 0.73 HCRTR2 (0.67) HCRTR2
SCHEMBL22355735 0.73 HCRTR2 (0.67) HCRTR2
SCHEMBL22355825 0.73 HCRTR2 (0.67) HCRTR2
SCHEMBL12184218 0.73 RIPK1 (0.58) PRMT5WDR77MEN1KMT2ARIPK1

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-2024081363-A1 COMPOSITION COMPRISING A FIRST RAS INHIBITOR, SECOND RAS INHIBITOR AND A SHP2 INHIBITOR FOR USE IN THE TREATMENT OF CANCER Revolution Medicines, Inc. (US) 2024-04-18 — — WO disclosed
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