SCHEMBL7678918

SCHEMBL7678918

CCCCN(CCCC)C(CC)Oc1ccc(-c2cn3cc(C)ccc3n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.66
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PAX8 Q06710 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
MITF O75030 1/20 0.51
KDM5A P29375 1/20 0.51
KDM5C P41229 1/20 0.51
APP P05067 3/20 0.48
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 1/20 0.47
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
CDK5 Q00535 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
SCHEMBL7684980 0.89 HRH3 (0.67) HRH3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL10569275 0.86 HRH3 (0.68) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL7681802 0.86 HRH3 (0.67) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL10568930 0.83 HRH3 (0.67) HRH3NPC1RAB9AKDM4EPKM
SCHEMBL10547631 0.82 HRH3 (0.67) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL7317436 0.81 HRH3 (0.45) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL7684201 0.80 HRH3 (0.67) HRH3NPC1RAB9AKDM4EALDH1A1
SCHEMBL7678924 0.80 HRH3 (1.00) HRH3
SCHEMBL7319647 0.79 SMN1; SMN2 (0.56) HRH3NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL7676646 0.78 HRH3 (0.67) HRH3NPC1RAB9AKDM4EALDH1A1

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 4 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-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