SCHEMBL7816786

SCHEMBL7816786

Clc1cccc2c3c([nH]c12)CNC1CCCCC31

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MCHR1 Q99705 1/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
KCNH2 Q12809 1/20 0.38
OPRM1 P35372 2/20 0.34
OPRL1 P41146 2/20 0.34
OPRK1 P41145 1/20 0.34
CTSK P43235 1/20 0.33
CCNB2 O95067 1/20 0.32
CDK1 P06493 1/20 0.32
CCNB1 P14635 1/20 0.32
GSK3B P49841 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
CCNB3 Q8WWL7 1/20 0.32
GLA P06280 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL8831803 1.00 DYRK1A (0.41) DYRK1ATAAR1MCHR1HTR2AHTR2C
SCHEMBL7822706 1.00 DYRK1A (0.41) DYRK1ATAAR1MCHR1HTR2AHTR2C
SCHEMBL7828493 0.68 MCHR1 (0.40) MCHR1L3MBTL1KDM4E
SCHEMBL7816458 0.68 MCHR1 (0.40) MCHR1L3MBTL1KDM4E
SCHEMBL8840806 0.66 MCHR1 (0.43) DYRK1ATAAR1MCHR1HTR2AHTR2C
SCHEMBL4727564 0.62 TAAR1 (0.62) DYRK1ATAAR1CCNB2CDK1CCNB1
SCHEMBL24896324 0.62 MAP2 (0.48) DYRK1AMCHR1HTR2AHTR2CKCNH2
SCHEMBL17885103 0.62 HTR2A (0.43) DYRK1ATAAR1MCHR1HTR2AHTR2C
SCHEMBL31743436 0.62 MAP2 (0.48) DYRK1AMCHR1HTR2AHTR2CKCNH2
SCHEMBL11756901 0.62 TAAR1 (0.54) DYRK1ATAAR1MCHR1CCNB2CDK1

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-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
US-5861410-A TREATING A FUNCTIONAL BOWEL DISORDER ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5861408-A SEROTONIN RECEPTOR ANTAGONISTS, INHIBITORS OF SEROTONIN-INDUCED COLON CONCTRACTIONS, FOR TREATING GASTROINTESTINAL DISORDERS ELI LILLY AND COMPANY (US) 1999-01-19 US disclosed
US-5861409-A Tetrahydro-beta-carbolines ELI LILLY AND COMPANY (US) 1999-01-19 US 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
US-5663178-A 5-HT2 RECEPTOR ANTABONISTS ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5643916-A 5-HT(2B) RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
US-5629317-A SEROTONIN ANTAGONIST ELI LILLY AND COMPANY (US) 1997-05-13 US disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1996024351-A1 TETRAHYDRO-BETA-CARBOLINES, OCTAHYDRO-INDOLO-[2,3-c]QUINOLINES AND OCTAHYDRO-INDOLO-[2,3-c]-QUINUCLIDINES ELI LILLY AND COMPANY (US) 1996-08-15 WO disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed