SCHEMBL7680792

SCHEMBL7680792

CCN(CC)C(C)Oc1ccc(-c2cn3cccc(C)c3n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.58
NPC1 O15118 6/20 0.57
RAB9A P51151 6/20 0.57
ALDH1A1 P00352 6/20 0.57
NFKB1 P19838 3/20 0.57
NFKB2 Q00653 3/20 0.57
RELA Q04206 3/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 5/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
TP53 P04637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.47
MAPT P10636 1/20 0.47
RECQL P46063 1/20 0.47
MEN1 O00255 1/20 0.46

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
SCHEMBL7679062 0.86 ALDH1A1 (0.60) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL7675253 0.82 NPC1 (0.65) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL7681716 0.82 HRH3 (0.61) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL5411351 0.81 NPC1 (0.61) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL7680802 0.81 HRH3 (0.63) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL7676646 0.80 HRH3 (0.67) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL7684201 0.80 HRH3 (0.67) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL13325759 0.78 NPC1 (0.73) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL7680798 0.77 HRH3 (0.77) HRH3NPC1RAB9AALDH1A1NFKB1
SCHEMBL7679066 0.76 HRH3 (0.72) HRH3NPC1RAB9AALDH1A1NFKB1

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