SCHEMBL13544153

SCHEMBL13544153

CC1CCCN1CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
CHRM5 P08912 2/20 0.46
ADRA2C P18825 1/20 0.46
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
HRH3 Q9Y5N1 10/20 0.40
ALDH1A1 P00352 2/20 0.40
GBA1 P04062 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL10998848 0.98 ACHE (0.47) ACHECHRM5ADRA2CCHRM2CHRM4
SCHEMBL14828674 0.96 CHRM5 (0.52) ACHECHRM5ADRA2CCHRM2CHRM4
SCHEMBL4966539 0.93 ACHE (0.42) ACHECHRM5ADRA2CHRH3
SCHEMBL4966546 0.93 ACHE (0.42) ACHECHRM5ADRA2CHRH3
SCHEMBL1787100 0.91 HRH3 (0.42) ACHEHRH3
SCHEMBL22852502 0.91 HRH3 (0.42) ACHEHRH3
SCHEMBL16254938 0.89 ALDH1A1 (0.44) ACHECHRM5ADRA2CCHRM2HRH3
SCHEMBL16480437 0.82 KCNH2 (0.44) HRH3GBA1
SCHEMBL5504656 0.82 GBA1 (0.44) HRH3GBA1
SCHEMBL5504654 0.82 HRH3 (0.39) HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2918340-B1 LIGAND COMPOUND, CATALYST SYSTEM FOR OLIGOMERIZING OLEFIN, AND METHOD FOR OLIGOMERIZING OLEFIN USING SAME LG CHEMICAL LTD (KR) 2017-03-15 EP disclosed
US-8629157-B2 Pyrrolidine compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-7649011-B2 Active against cancer proliferation, growth, and metastasis; such as 3,4,5-trimethoxy-n-(2-methyl-3-phenyl-allyl)-n-[2-(1-methyl-pyrrolidin-2-yl)-thyl]-benzamide; side effect reduction CHEMOCENTRYX, INC. (US) 2010-01-19 US disclosed