SCHEMBL7808561

SCHEMBL7808561

COc1cccc2cc(CCN)[nH]c12

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.61
MTNR1B P49286 1/20 0.61
HTR2A P28223 2/20 0.49
ITK Q08881 2/20 0.45
TAAR1 Q96RJ0 4/20 0.45
HRH4 Q9H3N8 2/20 0.41
FLT3 P36888 1/20 0.41
IDO1 P14902 1/20 0.41
NR3C1 P04150 1/20 0.41
PGR P06401 1/20 0.41
NR3C2 P08235 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL7417773 0.83 MTNR1A (0.60) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL19921264 0.81 MTNR1A (0.60) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL5359029 0.80 MTNR1A (0.60) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL5350689 0.80 MTNR1A (0.60) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL11809545 0.79 DAO (0.46) MTNR1AMTNR1BHTR2ATAAR1HRH4
SCHEMBL11199718 0.76 MTNR1A (0.62) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL21586308 0.75 EHMT2 (0.50) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL6992510 0.74 MTNR1A (0.50) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL476670 0.73 ITK (0.48) MTNR1AMTNR1BITKHRH4FLT3
SCHEMBL20033880 0.71 ITK (0.47) MTNR1AMTNR1BITKHRH4FLT3

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
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
US-5736544-A ADMINISTERING TO TREAT MIGRAINE HEADACHES IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-07 US disclosed
US-5705519-A ADMINISTERING A SUBSTITUTED INDOLE TO A MAMMAL ELI LILLY AND COMPANY (US) 1998-01-06 US disclosed
US-5688807-A ANTIDEPRESSANTS, ANXIETY, UROGENITAL DISORDERS, HYPOTENSIVES, CARDIOVASCULAR DISORDERS ELI LILLY AND COMPANY (US) 1997-11-18 US disclosed
EP-0751770-A4 8-SUBSTITUTED TETRAHYDRO-BETA-CARBOLINES LILLY CO ELI (US) 1997-06-11 EP disclosed
US-5631265-A CHEMICAL INTERMEDIATES WITH CENTRAL NERVOUS SYSTEM ACTIVITY ELI LILLY AND COMPANY (US) 1997-05-20 US disclosed
EP-0751770-A1 8-SUBSTITUTED TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1997-01-08 EP disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed
WO-1995024191-A1 8-SUBSTITUTED TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed