SCHEMBL7681802

SCHEMBL7681802

CCCCN(CCCC)C(CC)Oc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.67
NPC1 O15118 8/20 0.58
RAB9A P51151 8/20 0.58
KDM4E B2RXH2 4/20 0.58
PKM P14618 3/20 0.58
ALDH1A1 P00352 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
MAPK1 P28482 1/20 0.58
EPHX2 P34913 1/20 0.55
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
POLB P06746 1/20 0.46
GFER P55789 1/20 0.45

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
SCHEMBL7678918 0.86 HRH3 (0.66) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL7678280 0.85 RAB9A (0.64) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL10569275 0.85 HRH3 (0.68) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL7684980 0.84 HRH3 (0.67) HRH3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL7318572 0.83 RAB9A (0.57) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL7684201 0.83 HRH3 (0.67) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL10547631 0.83 HRH3 (0.67) HRH3NPC1RAB9AKDM4EPKM
Hydrochloric Acid SCHEMBL7314288 0.82 RAB9A (0.56) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL7685035 0.82 HRH3 (0.67) HRH3
SCHEMBL7676646 0.81 HRH3 (0.67) HRH3NPC1RAB9AKDM4EPKM

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
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-4833149-A ANTISECRETORY AGENTS, CALCIUM CHANNEL BLOCKERS ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-23 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