SCHEMBL9456629

SCHEMBL9456629

CCCNCCC.CCOc1cccc2c1CCCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.44
MTNR1B P49286 4/20 0.41
HTR1B P28222 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 2/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 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
SCHEMBL18922746 0.81 HTR2C (0.50) MTNR1AMTNR1BMEN1KMT2AHTR2A
SCHEMBL13243287 0.79 MTNR1A (0.44) MTNR1AMTNR1BHTR2AHTR2CPOLB
SCHEMBL9456422 0.74 HTR1B (0.38) HTR1BMEN1KMT2ACYP2D6ALDH1A1
SCHEMBL6621347 0.74 MTNR1A (0.44) MTNR1AMTNR1BMEN1KMT2APOLB
SCHEMBL8823764 0.74 ACHE (0.49) HTR1BHTR2AHTR2CHTR1A
SCHEMBL27768026 0.72 MTNR1A (0.38) MTNR1AMTNR1BHTR2AHTR2CHTR2B
SCHEMBL27767762 0.71 MTNR1A (0.39) MTNR1AMTNR1BHTR1BHTR2AHTR2C
SCHEMBL21872018 0.70 MTNR1A (0.47) MTNR1AMTNR1BHTR1BHTR2AHTR2C
SCHEMBL6174714 0.70 MTNR1A (0.71) MTNR1AMTNR1BHTR1BHTR1AADRA1D
SCHEMBL8823797 0.70 BCHE (0.48) MEN1KMT2ACYP2D6ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP claimed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US claimed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO claimed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US claimed
EP-2983473-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS Mountain Llc (US) 2016-02-17 EP disclosed
US-20140350064-A1 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC 2014-11-27 US disclosed
WO-2014144130-A2 PHARMACEUTICAL COMPOSITION COMPRISING AN AMPK ACTIVATOR AND A SEROTONERGIC AGENT AND METHODS OF USE THEREOF ALS MOUNTAIN LLC (US) 2014-09-18 WO disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
EP-0360077-B1 USE OF SEROTONIN ANTAGONISTS IN THE TREATMENT OF APOPLEXIA CEREBRI Troponwerke GmbH & Co. KG (DE) 1993-07-21 EP disclosed
US-5200410-A Serotonin agonist with specific binding strength TROPONWERKE GMBH & CO. (DE) 1993-04-06 US disclosed
US-5155128-A Medicaments for the treatment of cerebral apoplexy TROPONWERKE GMBH & CO. (DE) 1992-10-13 US disclosed
US-5070102-A SEROTONIN AGONISTS TROPONWERKE GMBH & CO. (DE) 1991-12-03 US disclosed
US-4988700-A Antiserotonin agent, aryl or heteroaryl piperazine compounds TROPONWERKE GMBH & CO. (DE) 1991-01-29 US disclosed