SCHEMBL8802574

SCHEMBL8802574

COc1ccc2[nH]c(Cc3ccccc3)c(CCN)c2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.67
MTNR1B P49286 3/20 0.67
HTR6 P50406 6/20 0.62
HTR1D P28221 5/20 0.62
TRPM8 Q7Z2W7 2/20 0.57
HTR1A P08908 4/20 0.51
HTR7 P34969 4/20 0.51
HTR5A P47898 3/20 0.51
HTR2A P28223 2/20 0.51
HTR2C P28335 2/20 0.51
HTR1E P28566 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51

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
SCHEMBL10444002 0.88 MTNR1A (0.67) MTNR1AMTNR1BHTR6HTR1DHTR1A
SCHEMBL8691195 0.83 HTR6 (0.71) MTNR1AMTNR1BHTR6HTR1DTRPM8
SCHEMBL9304037 0.81 MTNR1A (1.00) MTNR1AMTNR1BTSHRCYP1A2KDM4E
SCHEMBL8804026 0.80 MTNR1A (0.59) MTNR1AMTNR1BHTR6HTR1DTRPM8
SCHEMBL8947088 0.80 HTR6 (0.73) MTNR1AMTNR1BHTR6HTR1DTRPM8
SCHEMBL4244966 0.77 HTR1D (1.00) MTNR1AMTNR1BHTR6HTR1DTRPM8
SCHEMBL8229569 0.76 HTR6 (0.72) MTNR1AMTNR1BHTR6HTR1DTRPM8
SCHEMBL8946961 0.76 HTR6 (0.72) MTNR1AMTNR1BHTR6HTR1DTRPM8
Hydrochloric Acid SCHEMBL7433474 0.76 HTR1D (0.97) MTNR1AMTNR1BHTR6HTR1DTRPM8
SCHEMBL8805832 0.75 MTNR1A (0.63) MTNR1AMTNR1BADORA2BMAPTTSHR

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-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP claimed
CN-1149252-A Novel substituted tryptamines, phenylalkylamines and the like INTERNEURON PHARMA (US) 1997-05-07 CN claimed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP claimed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO claimed
EP-0754041-A4 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMA (US) 1997-11-19 EP disclosed
CN-1149252-A Novel substituted tryptamines, phenylalkylamines and the like INTERNEURON PHARMA (US) 1997-05-07 CN disclosed
EP-0754041-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS INCORPORATED (US) 1997-01-22 EP disclosed
US-5580878-A TREATING SLEEP DISORDERS INTERNEURON PHARMACEUTICALS, INC. (US) 1996-12-03 US disclosed
WO-1995026723-A1 NOVEL SUBSTITUTED TRYPTAMINES, PHENALKYLAMINES AND RELATED COMPOUNDS INTERNEURON PHARMACEUTICALS, INC. (US) 1995-10-12 WO disclosed
US-5403851-A Central nervous system and psychological disorders INTERNEURON PHARMACEUTICALS, INC. (US) 1995-04-04 US disclosed
US-5314908-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1994-05-24 US disclosed
EP-0549916-A2 Compounds useful as antiproliferative agents WHITBY RESEARCH, Inc. (US) 1993-07-07 EP disclosed
US-5206377-A Compounds useful as antiproliferative agents WHITBY RESEARCH, INC. (US) 1993-04-27 US disclosed