SCHEMBL4495487

SCHEMBL4495487

CC1CCCCN1CCNC(=O)c1ccc2cc(OCCCN3CCCCC3)ccc2c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.60
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
SCN1A P35498 1/20 0.49
SCN2A Q99250 1/20 0.49
SCN3A Q9NY46 1/20 0.49
MAOB P27338 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
GLA P06280 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
POLB P06746 1/20 0.47
HTR3A P46098 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL4505134 0.85 HRH3 (0.61) HRH3MAOBSLC6A2SLC6A4
SCHEMBL4506398 0.84 HRH3 (0.65) HRH3MAOBSLC6A2GLAL3MBTL1
SCHEMBL4499048 0.83 HRH3 (0.64) HRH3SLC6A2SLC6A4GLAL3MBTL1
SCHEMBL4509190 0.83 HRH3 (0.64) HRH3MAOBSLC6A2SLC6A4GLA
SCHEMBL4501875 0.82 HRH3 (0.63) HRH3MAOB
SCHEMBL4499089 0.82 HRH3 (0.65) HRH3MAOB
SCHEMBL4514549 0.82 HRH3 (0.65) HRH3MAOB
SCHEMBL4490295 0.82 HRH3 (0.65) HRH3MAOB
SCHEMBL4505460 0.82 HRH3 (0.68) HRH3MAOBSLC6A2
SCHEMBL4490636 0.81 HRH3 (0.64) HRH3MAOBSLC6A2SLC6A4

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
US-7608617-B2 Naphthaline derivatives as H3 inverse agonists HOFFMANN-LA ROCHE INC. (US) 2009-10-27 US disclosed