SCHEMBL10774443

SCHEMBL10774443

CC(C)CCCN(CCCCCN1CCCCC1)CCC(C)C

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.48
▸ MAPT P10636 1/20 0.37
▸ LSS P48449 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.35
▸ HRH1 P35367 1/20 0.34
▸ SLC6A4 P31645 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
SCHEMBL9322230 1.00 HRH3 (0.48) HRH3MAPTLSSSIGMAR1HRH1
SCHEMBL9322156 0.97 HRH3 (0.52) HRH3MAPTSIGMAR1HRH1SLC6A4
SCHEMBL9322439 0.97 HRH3 (0.52) HRH3MAPTSIGMAR1HRH1SLC6A4
SCHEMBL9322488 0.97 HRH3 (0.52) HRH3MAPTSIGMAR1HRH1SLC6A4
SCHEMBL9323566 0.97 HRH3 (0.52) HRH3MAPTSIGMAR1HRH1SLC6A4
SCHEMBL9324566 0.97 HRH3 (0.52) HRH3MAPTSIGMAR1HRH1SLC6A4
SCHEMBL9322241 0.95 HRH3 (0.45) HRH3MAPTLSSSIGMAR1HRH1
SCHEMBL9324742 0.95 HRH3 (0.48) HRH3MAPTSIGMAR1
SCHEMBL9321363 0.93 HRH3 (0.42) HRH3MAPTLSSSLC6A4
SCHEMBL10774584 0.93 HRH3 (0.42) HRH3MAPTLSSSLC6A4

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-0235942-A1 Alkylenediamine derivatives NIPPON CHEMIPHAR CO., LTD. (JP) 1987-09-09 — — EP disclosed
Send feedback