SCHEMBL8545622

SCHEMBL8545622

Clc1ccc2c(NCCCN3CCCC3)ccnc2c1

nearest known ligand 0.98

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.98
MEN1 O00255 1/20 0.78
KMT2A Q03164 1/20 0.78
CCR1 P32246 1/20 0.71

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
SCHEMBL491793 0.99 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL2445934 0.98 HRH3 (0.93) HRH3MEN1KMT2A
SCHEMBL5289503 0.96 HRH3 (0.98) HRH3MEN1KMT2ACCR1
SCHEMBL2443711 0.96 HRH3 (0.95) HRH3MEN1KMT2A
SCHEMBL2443304 0.96 HRH3 (0.95) HRH3MEN1KMT2A
SCHEMBL491772 0.95 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL2443281 0.95 HRH3 (0.88) HRH3MEN1KMT2ACCR1
SCHEMBL492046 0.94 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL7430746 0.94 HRH3 (1.00) HRH3MEN1KMT2ACCR1
SCHEMBL491855 0.94 HRH3 (1.00) HRH3MEN1KMT2ACCR1

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-0656353-B1 Aminochinoline derivates useful in the treatment of malaria HOFFMANN LA ROCHE (CH) 1998-06-03 EP disclosed
US-5596002-A TREATMENT OF ANTIBIOTIC RESISTANT MICROORGANISMS HOFFMANN-LA ROCHE INC. (US) 1997-01-21 US disclosed
EP-0656353-A1 Aminochinoline derivates useful in the treatment of malaria F. HOFFMANN-LA ROCHE AG (CH) 1995-06-07 EP disclosed