SCHEMBL1145

SCHEMBL1145

Cc1[nH]cnc1CN1CCc2c(c3ccccc3n2C2CCCC2)C1=O

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.72
HTR3A P46098 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
ADRA2C P18825 1/20 0.72
HTR2A P28223 1/20 0.72
HTR2C P28335 1/20 0.72
ADRA1A P35348 1/20 0.72
HTR2B P41595 1/20 0.72
CASP6 P55212 1/20 0.71
CD44 P16070 1/20 0.39
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35

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 SCHEMBL1048 0.93 KCNH2 (0.64) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
Fumaric Acid SCHEMBL1049 0.93 KCNH2 (0.64) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
SCHEMBL3321223 0.87 KCNH2 (0.54) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
SCHEMBL1214 0.85 KCNH2 (0.70) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL631 0.84 KCNH2 (1.00) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL29377019 0.84 KCNH2 (1.00) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL29387635 0.83 CASP6 (1.00) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL806 0.83 CASP6 (1.00) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
Alosetron SCHEMBL635233 0.82 KCNH2 (0.96) KCNH2HTR3ACYP1A2CYP3A4ADRA2C
SCHEMBL702 0.82 KCNH2 (0.78) KCNH2HTR3ACYP1A2CYP3A4ADRA2C

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530008-A USEFUL FOR TREATING ANXIETY DISORDER AND AGORAPHOBIA SANDOZ LTD. (CH) 1996-06-25 US claimed
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
EP-0422154-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS. SANDOZ AG (AT) 1991-04-17 EP claimed
WO-1990012569-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (CH) 1990-11-01 WO claimed
EP-0306323-A2 Lactam derivatives GLAXO GROUP LIMITED (GB) 1989-03-08 EP claimed
US-5530008-A USEFUL FOR TREATING ANXIETY DISORDER AND AGORAPHOBIA SANDOZ LTD. (CH) 1996-06-25 US 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
EP-0422154-B1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (AT) 1993-12-01 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
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
EP-0422154-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS. SANDOZ AG (AT) 1991-04-17 EP disclosed
WO-1990012569-A1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (CH) 1990-11-01 WO 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