SCHEMBL7680441

SCHEMBL7680441

CCCCN(CCCC)C(CC)Oc1ccc(C(=O)c2cnc3ccc(Br)cn23)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.50
HRH3 Q9Y5N1 1/20 0.36
ALOX15 P16050 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7678306 0.85 ADORA2A (0.52) ADORA2AALOX15
SCHEMBL7680444 0.83 HRH3 (0.54) ADORA2AHRH3
SCHEMBL7677866 0.81 NPC1 (0.54) ADORA2AHRH3ALOX15ALDH1A1
SCHEMBL7684647 0.80 HRH3 (0.45) HRH3ALDH1A1
SCHEMBL7316592 0.79 PKM (0.42) ADORA2AALOX15ALDH1A1LMNANPSR1
SCHEMBL7680843 0.78 HRH3 (0.36) ADORA2AHRH3ALOX15ALDH1A1LMNA
SCHEMBL7680781 0.78 HRH3 (0.39) ADORA2AHRH3ALOX15
Hydrochloric Acid SCHEMBL7317675 0.78 PKM (0.44) ADORA2AALOX15
SCHEMBL7319679 0.78 ALOX15 (0.35) ADORA2AALOX15ALDH1A1LMNANPSR1
Hydrochloric Acid SCHEMBL7319888 0.77 ALOX15 (0.35) ADORA2AALOX15ALDH1A1LMNANPSR1

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 12 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
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
EP-0261912-A2 2- or 3- Aryl substituted imidazo [1,2-a] pyridines ORTHO PHARMACEUTICAL CORPORATION (US) 1988-03-30 EP disclosed
US-4727145-A LOCAL ANESTHETICS ORTHO PHARMACEUTICAL CORPORATION (US) 1988-02-23 US disclosed