SCHEMBL7689909

SCHEMBL7689909

CCCCN(CCCC)C(CC)Oc1ccc(-c2nc3cc(C)cc(C)n3c2C)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.43
CREBBP Q92793 2/20 0.40
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.31
HTR1B P28222 1/20 0.31
HTR2B P41595 1/20 0.31
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL10569536 0.84 HRH3 (0.42) HRH3MAPTATM
SCHEMBL10568930 0.80 HRH3 (0.67) HRH3
SCHEMBL7689914 0.80 HRH3 (0.67) HRH3ATP4AATP4B
SCHEMBL7674368 0.78 NPC1 (0.49) HRH3MAPT
SCHEMBL10569049 0.77 HRH3 (0.42) HRH3MAPT
SCHEMBL7318458 0.73 HRH3 (0.42) HRH3MAPTATP4AATP4B
SCHEMBL10569275 0.73 HRH3 (0.68) HRH3KMT2A
SCHEMBL7677823 0.73 HRH3 (0.67) HRH3KMT2AMAPTATM
Hydrochloric Acid SCHEMBL7321620 0.73 HRH3 (0.41) HRH3MAPTATP4AATP4B
SCHEMBL10569141 0.72 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6489337-B1 TREATMENT OF ALZHEIMER'S DISEASE, EPILEPSY, EATING DISORDERS, LEARNING AND MEMORY DISORDERS, MIGRAINE, SLEEP/WAKE DISORDERS, ALLERGIC RHINITIS, SCHIZOPHRENIA, MILD COGNITIVE IMPAIRMENT, AND ASTHMA ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-12-03 US disclosed
WO-2001074813-A2 METHOD FOR USING 2- OR 3-ARYL SUBSTITUTED IMIDAZO[1,2-a] PYRIDINES AS H3 ANTAGONISTS ORTHO MCNEIL PHARMACEUTICAL, INC. (US) 2001-10-11 WO disclosed
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