SCHEMBL7681807

SCHEMBL7681807

CCCCN(CCCC)CCCOc1ccc(-c2cn3ccccc3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 1.00
NPC1 O15118 2/20 0.78
ALDH1A1 P00352 2/20 0.78
PKM P14618 2/20 0.78
RAB9A P51151 2/20 0.78
SMN1; SMN2 Q16637 2/20 0.78
KDM4E B2RXH2 1/20 0.78
NFKB1 P19838 1/20 0.78
NFKB2 Q00653 1/20 0.78
RELA Q04206 1/20 0.78
MAPK1 P28482 1/20 0.70

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
SCHEMBL19322156 0.93 NPC1 (0.90) HRH3NPC1ALDH1A1PKMRAB9A
SCHEMBL7678283 0.88 HRH3 (0.79) HRH3NPC1ALDH1A1PKMRAB9A
SCHEMBL7678924 0.85 HRH3 (1.00) HRH3
SCHEMBL7684690 0.84 HRH3 (1.00) HRH3
SCHEMBL7318575 0.84 HRH3 (0.72) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7314292 0.83 HRH3 (0.71) HRH3NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7680412 0.83 HRH3 (1.00) HRH3
SCHEMBL7684986 0.83 HRH3 (1.00) HRH3
SCHEMBL5412145 0.83 RAB9A (0.76) HRH3NPC1ALDH1A1PKMRAB9A
SCHEMBL13325732 0.82 RAB9A (1.00) HRH3NPC1ALDH1A1PKMRAB9A

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 14 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
EP-0003960-B1 6-SUBSTITUTED THIA-AZA-COMPOUNDS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1983-06-29 EP 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
EP-0252885-A1 Bicyclic thiaaza compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed