SCHEMBL2371949

SCHEMBL2371949

O=C(O)N1CCC(N2CCC[C@@H](O)C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ L3MBTL3 Q96JM7 14/20 0.41
▸ L3MBTL1 Q9Y468 12/20 0.41
▸ MBTD1 Q05BQ5 4/20 0.41
▸ TP53BP1 Q12888 2/20 0.41
▸ L3MBTL4 Q8NA19 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HRH3 Q9Y5N1 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
SCHEMBL13207148 0.84 ALDH1A1 (0.45) ALDH1A1L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL5175887 0.82 ALDH1A1 (0.68) ALDH1A1L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL31482179 0.81 ADRA1A (0.50) ALDH1A1SMN1; SMN2
SCHEMBL4334091 0.81 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
SCHEMBL2862492 0.81 L3MBTL3 (0.58) L3MBTL3L3MBTL1MBTD1TP53BP1L3MBTL4
Hydrochloric Acid SCHEMBL18145297 0.79 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL3155682 0.79 L3MBTL3 (0.59) ALDH1A1L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL920485 0.79 L3MBTL3 (0.59) ALDH1A1L3MBTL3L3MBTL1MBTD1TP53BP1
SCHEMBL6627476 0.78 HRH3 (0.42) ALDH1A1MEN1KMT2AHRH3
SCHEMBL8490717 0.78 CHRM1 (0.56) ALDH1A1L3MBTL1MEN1KMT2A

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-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 — — WO disclosed
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