SCHEMBL9456263

SCHEMBL9456263

CCCNCCC.Oc1cccc2c1CCCS2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
DRD4 P21917 3/20 0.40
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
HPGD P15428 1/20 0.34
HTR1A P08908 4/20 0.33
HTR7 P34969 3/20 0.32
DRD1 P21728 1/20 0.32
DRD5 P21918 1/20 0.32
ADRB2 P07550 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
HTR1D P28221 1/20 0.32

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
SCHEMBL9456422 0.80 HTR1B (0.38) DRD2DRD3DRD4HTR1ACYP1A2
SCHEMBL1321391 0.76 BCL2L1 (0.68) DRD2DRD3DRD4BCL2L1BAD
SCHEMBL2679622 0.74 BCL2L1 (0.42) DRD2DRD3BCL2L1BADHPGD
SCHEMBL31103410 0.74 BCL2L1 (0.42) DRD2DRD3BCL2L1BADHPGD
SCHEMBL9390006 0.68 DRD2 (0.54) DRD2DRD3DRD4HTR1ADRD1
SCHEMBL9394757 0.64 DRD2 (0.38) DRD2DRD3HPGDDRD1DRD5
SCHEMBL7519114 0.63 MTNR1A (0.46) DRD2
SCHEMBL5705483 0.63 DRD2 (0.52) DRD2DRD3DRD4HTR1A
SCHEMBL6542200 0.63 ALDH1A1 (0.47) DRD2DRD3DRD4BCL2L1BAD
SCHEMBL11444500 0.63

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US 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 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
EP-0360077-A2 Use of serotonin antagonists in the treatment of apoplexia cerebri Troponwerke GmbH & Co. KG (DE) 1990-03-28 EP disclosed