SCHEMBL7684647

SCHEMBL7684647

CCCCN(CCCC)C(CC)Oc1ccc(C(=O)c2cn3cc(Br)ccc3n2)cc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.45
MAP3K5 Q99683 1/20 0.35
APP P05067 1/20 0.32
KDM4E B2RXH2 2/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10571000 0.86 HRH3 (0.44) HRH3KDM4ERAB9ANPC1ALDH1A1
SCHEMBL7682733 0.84 KDM4E (0.48) HRH3KDM4EL3MBTL1RAB9ANPC1
SCHEMBL10695752 0.82 HRH3 (0.49) HRH3MAP3K5APP
SCHEMBL7684650 0.82 HRH3 (0.68) HRH3
SCHEMBL7684980 0.81 HRH3 (0.67) HRH3APPKMT2ARAB9ANPC1
SCHEMBL7685085 0.80 HRH3 (0.46) HRH3
SCHEMBL7680441 0.80 ADORA2A (0.50) HRH3ALDH1A1
SCHEMBL10565903 0.80 HRH3 (0.47) HRH3APPKDM4ERAB9ANPC1
SCHEMBL10566887 0.79 HRH3 (0.46) HRH3
SCHEMBL7678197 0.79 HRH3 (0.45) 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 9 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 claimed
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 claimed
US-4871745-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-10-03 US claimed
US-4791117-A LOCAL ANTESTHETICS, ANTISECRETORY AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-12-13 US claimed
EP-0261912-A2 2- or 3- Aryl substituted imidazo [1,2-a] pyridines ORTHO PHARMACEUTICAL CORPORATION (US) 1988-03-30 EP claimed
US-4727145-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-02-23 US claimed
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
EP-0261912-A2 2- or 3- Aryl substituted imidazo [1,2-a] pyridines ORTHO PHARMACEUTICAL CORPORATION (US) 1988-03-30 EP disclosed