SCHEMBL9322241

SCHEMBL9322241

CC(C)CCCCN(CCCCN1CCCCC1)CCC(C)C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.45
▸ MAPT P10636 1/20 0.38
▸ LSS P48449 1/20 0.36
▸ HRH1 P35367 1/20 0.35
▸ SLC6A4 P31645 1/20 0.34
▸ FPR3 P25089 1/20 0.34
▸ FPR2 P25090 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ SIGMAR1 Q99720 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
SCHEMBL9322161 0.97 HRH3 (0.41) HRH3MAPTLSSSLC6A4CYP1A2
SCHEMBL9322145 0.97 HRH3 (0.41) HRH3MAPTLSSSLC6A4CYP1A2
SCHEMBL9322230 0.95 HRH3 (0.48) HRH3MAPTLSSHRH1SLC6A4
SCHEMBL10774443 0.95 HRH3 (0.48) HRH3MAPTLSSHRH1SLC6A4
SCHEMBL9324566 0.95 HRH3 (0.52) HRH3MAPTHRH1SLC6A4SIGMAR1
SCHEMBL9322488 0.95 HRH3 (0.52) HRH3MAPTHRH1SLC6A4SIGMAR1
SCHEMBL9322439 0.95 HRH3 (0.52) HRH3MAPTHRH1SLC6A4SIGMAR1
SCHEMBL9324674 0.95 HRH3 (0.38) HRH3MAPTLSSSLC6A4FPR3
SCHEMBL9323566 0.95 HRH3 (0.52) HRH3MAPTHRH1SLC6A4SIGMAR1
SCHEMBL9322156 0.95 HRH3 (0.52) HRH3MAPTHRH1SLC6A4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
Send feedback