SCHEMBL31040437

SCHEMBL31040437

CC(C)(N)CCNCCCCN(CCC(C)(C)N)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.33
▸ PAOX Q6QHF9 3/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
Hydrochloric Acid SCHEMBL25353052 0.98 REN (0.33) RENPAOXHDAC6
Hydrochloric Acid SCHEMBL26102086 0.83 KDM4A (0.35) PAOXHDAC6
SCHEMBL31040439 0.82 REN (0.32) RENPAOX
SCHEMBL31040382 0.82 FFAR1 (0.35) —
SCHEMBL31040387 0.81 GRM4 (0.33) —
SCHEMBL31040424 0.81 GRM4 (0.38) —
Hydrochloric Acid SCHEMBL25351224 0.81 REN (0.31) RENPAOX
Hydrochloric Acid SCHEMBL25352359 0.80 FFAR1 (0.34) —
Hydrochloric Acid SCHEMBL25353146 0.80 GRM4 (0.32) —
Dipentylamine SCHEMBL30396641 0.74 ALDH1A1 (0.52) RENPAOX

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
CN-118510788-A Liposoamines 摩登纳特斯有限公司 2024-08-16 — — CN disclosed
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