SCHEMBL10569536

SCHEMBL10569536

CCCCN(CCCC)C(CC)Oc1ccc(-c2nc3cc(C)ccn3c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.42
ATM Q13315 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL7674368 0.87 NPC1 (0.49) HRH3RAB9ANPC1ALDH1A1MAPT
SCHEMBL7689909 0.84 HRH3 (0.43) HRH3ATMMAPT
SCHEMBL10569049 0.81 HRH3 (0.42) HRH3RAB9ANPC1BACE1GAA
SCHEMBL10569539 0.80 HRH3 (0.66) HRH3
SCHEMBL10569275 0.80 HRH3 (0.68) HRH3RAB9ANPC1ALDH1A1GAA
SCHEMBL7318458 0.80 HRH3 (0.42) HRH3GAAMAPTPOLB
SCHEMBL7677823 0.80 HRH3 (0.67) HRH3ATMRAB9ANPC1CYP11B1
Hydrochloric Acid SCHEMBL7321620 0.79 HRH3 (0.41) HRH3GAAMAPTPOLB
SCHEMBL10568930 0.78 HRH3 (0.67) HRH3RAB9ANPC1KDM4E
SCHEMBL10569141 0.78 HRH3 (0.54) 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
US-4871745-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-10-03 US disclosed
US-4791117-A LOCAL ANTESTHETICS, ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US disclosed
US-4727145-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-02-23 US disclosed