SCHEMBL9321363

SCHEMBL9321363

CC(C)CCCN(CCCN1CCCCC1)CCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.42
▸ LSS P48449 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ BACE1 P56817 1/20 0.35
▸ SLC6A4 P31645 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MC4R P32245 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL10774584 1.00 HRH3 (0.42) HRH3LSSMAPTBACE1SLC6A4
SCHEMBL10771016 0.98 HRH3 (0.39) HRH3LSSMAPTBACE1SLC6A4
SCHEMBL9322345 0.96 HRH3 (0.45) HRH3LSSMAPTBACE1SLC6A4
SCHEMBL9322145 0.95 HRH3 (0.41) HRH3LSSMAPTBACE1SLC6A4
SCHEMBL9322161 0.95 HRH3 (0.41) HRH3LSSMAPTBACE1SLC6A4
SCHEMBL10774443 0.93 HRH3 (0.48) HRH3LSSMAPTSLC6A4
SCHEMBL9322230 0.93 HRH3 (0.48) HRH3LSSMAPTSLC6A4
SCHEMBL9324674 0.93 HRH3 (0.38) HRH3LSSMAPTBACE1SLC6A4
SCHEMBL10772061 0.93 SIGMAR1 (0.38) HRH3LSSSLC6A4
SCHEMBL9322241 0.92 HRH3 (0.45) HRH3LSSMAPTSLC6A4CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0235942-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-03-23 — — EP claimed
US-5310902-A Glutamate blockers NIPPON CHEMIPHAR CO., LTD. (JP) 1994-05-10 — — US disclosed
EP-0235942-B1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO (JP) 1994-03-23 — — EP disclosed
US-5070196-A GLUTAMATE BLOCKERS NIPPON CHEMIPHAR CO., LTD. (JP) 1991-12-03 — — US disclosed
EP-0235942-A1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-09 — — EP disclosed
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