SCHEMBL29845699

SCHEMBL29845699

N=C(N)N1CCC(N)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.52
▸ CPN1 P15169 1/20 0.44
▸ CPB2 Q96IY4 1/20 0.44
▸ GNAI3 P08754 2/20 0.40
▸ GNAO1 P09471 2/20 0.40
▸ GNAI1 P63096 2/20 0.40
▸ TPSAB1 Q15661 2/20 0.36
▸ TPSD1 Q9BZJ3 2/20 0.36
▸ TPSG1 Q9NRR2 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ CHIA Q9BZP6 1/20 0.35
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL3319860 0.79 F2 (0.52) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL9059677 0.79 F2 (0.52) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL2527566 0.79 F2 (0.52) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL349334 0.77 F2 (0.50) F2CPN1CPB2TPSAB1TPSD1
Hydrochloric Acid SCHEMBL2523756 0.77 F2 (0.50) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL9061263 0.77 F2 (0.50) F2CPN1CPB2GAA
SCHEMBL349335 0.77 F2 (0.50) F2CPN1CPB2GAA
SCHEMBL14344742 0.77 CPN1 (0.42) CPN1CPB2GNAI3GNAO1GNAI1
SCHEMBL15807928 0.77 F2 (0.50) F2CPN1CPB2TPSAB1TPSD1
SCHEMBL7234914 0.76 F2 (0.71) F2CPN1CPB2CHIA

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-3528830-B1 POLYMYXIN-ALGINATE OLIGOMER CONJUGATES ALGIPHARMA AS (NO) 2022-10-05 — — EP claimed
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