SCHEMBL766

SCHEMBL766

Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2Cc2ccccc2)C1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.75
ADRA1A P35348 2/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
ADRA2C P18825 1/20 0.75
HTR2A P28223 1/20 0.75
HTR2C P28335 1/20 0.75
HTR2B P41595 1/20 0.75
HTR3A P46098 1/20 0.75
CASP6 P55212 1/20 0.74
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
Maleic Acid SCHEMBL873 0.93 KCNH2 (0.66) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Fumaric Acid SCHEMBL874 0.93 KCNH2 (0.66) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL702 0.90 KCNH2 (0.78) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL981 0.88 KCNH2 (0.78) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL7319453 0.87 KCNH2 (0.72) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
SCHEMBL803 0.87 KCNH2 (0.72) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL631 0.86 KCNH2 (1.00) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL29377019 0.86 KCNH2 (1.00) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Fumaric Acid SCHEMBL582 0.85 KCNH2 (0.68) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C
Maleic Acid SCHEMBL581 0.85 KCNH2 (0.68) KCNH2ADRA1ACYP1A2CYP3A4ADRA2C

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US claimed
EP-0306323-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1994-09-21 EP claimed
EP-0422154-B1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (AT) 1993-12-01 EP claimed
US-5221687-A Antidepressants GLAXO GROUP LIMITED (GB) 1993-06-22 US claimed
JP-2180824-A None JP disclosed
JP-2180822-A None JP disclosed
US-5360800-A Tetrahydro-1H-pyrido[4,3-b]indol-1-one derivatives GLAXO GROUP LIMITED (GB) 1994-11-01 US disclosed
EP-0306323-B1 Lactam derivatives GLAXO GROUP LTD (GB) 1994-09-21 EP disclosed
US-5229407-A Administering to humans or animals for treatment of cognitive disorders GLAXO GROUP LIMITED (GB) 1993-07-20 US disclosed
US-5225407-A Cognition activators GLAXO GROUP LIMITED (GB) 1993-07-06 US disclosed
US-5221687-A Antidepressants GLAXO GROUP LIMITED (GB) 1993-06-22 US disclosed
EP-0450757-A2 Use of 5-hydroxytryptamine-antagonists in the treatment of mental disorders originating in childhood GLAXO GROUP LIMITED (GB) 1991-10-09 EP disclosed
JP-H02180824-A MEDICAMENT GLAXO GROUP LTD 1990-07-13 JP disclosed
JP-H02180822-A MEDICAMENT GLAXO GROUP LTD 1990-07-13 JP disclosed
EP-0357415-A2 Use of serotonin antagonists in the treatment of cognitive disorders GLAXO GROUP LIMITED (GB) 1990-03-07 EP disclosed
EP-0357416-A2 Use of serotonin antagonists in the treatment of drug addiction GLAXO GROUP LIMITED (GB) 1990-03-07 EP disclosed
EP-0357414-A2 Use of serotonin antagonists in the treatment of depression GLAXO GROUP LIMITED (GB) 1990-03-07 EP disclosed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP disclosed