SCHEMBL5755487

SCHEMBL5755487

c1ccc(NCCCN2CCCCC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.61
BACE1 P56817 2/20 0.58
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
HRH2 P25021 2/20 0.55
ACP1 P24666 2/20 0.53
SIGMAR1 Q99720 2/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
MALT1 Q9UDY8 1/20 0.52
HTR7 P34969 1/20 0.52
HRH1 P35367 1/20 0.51

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
SCHEMBL11090932 1.00 HRH3 (0.61) HRH3BACE1ALDH1A1MAPTHRH2
Hydrochloric Acid SCHEMBL5754818 0.98 HRH3 (0.60) HRH3BACE1ALDH1A1MAPTHRH2
SCHEMBL11093254 0.98 HRH3 (0.59) HRH3BACE1ALDH1A1MAPTHRH2
Hydrochloric Acid SCHEMBL5755453 0.96 HRH3 (0.57) HRH3BACE1ALDH1A1MAPTHRH2
SCHEMBL5755856 0.93 SIGMAR1 (0.58) HRH3BACE1ALDH1A1MAPTHRH2
SCHEMBL11088471 0.93 SIGMAR1 (0.58) HRH3BACE1ALDH1A1MAPTHRH2
Hydrochloric Acid SCHEMBL8512324 0.93 HRH3 (0.55) HRH3BACE1ALDH1A1MAPTHRH2
Hydrochloric Acid SCHEMBL5755798 0.93 HRH3 (0.55) HRH3BACE1ALDH1A1MAPTHRH2
SCHEMBL18460437 0.93 ALDH1A1 (0.55) HRH3BACE1ALDH1A1MAPTHRH2
SCHEMBL21616862 0.90 BACE1 (0.63) HRH3BACE1ACP1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3820862-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2021-05-19 EP claimed
WO-2020011848-A1 POLYAMINO BIARYL COMPOUNDS AND THEIR USE INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2020-01-16 WO claimed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP claimed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP claimed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO claimed
EP-1401821-A4 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORP (KR) 2006-05-31 EP disclosed
EP-1401821-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK Corporation (KR) 2004-03-31 EP disclosed
WO-2002100848-A1 NOVEL PHENYLALKYL DIAMINE AND AMIDE ANALOGS SK CORPORATION (KR) 2002-12-19 WO disclosed
EP-0049779-B1 3-AMINOINDAZOLE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1984-10-31 EP disclosed