SCHEMBL7666158

SCHEMBL7666158

O=C(O)C1CCc2[nH]c3ccc(OCc4ccccc4)cc3c2C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.59
EGFR P00533 1/20 0.51
IGF1R P08069 1/20 0.51
FLT4 P35916 1/20 0.51
KDR P35968 1/20 0.51
ADRA1A P35348 1/20 0.49
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
HTR1D P28221 2/20 0.47
HTR1B P28222 2/20 0.47
PDE3B Q13370 1/20 0.47
PDE3A Q14432 1/20 0.47
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46

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
SCHEMBL11682262 0.92 MAPKAPK2 (0.59) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL11842906 0.91 MAPKAPK2 (0.54) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL8757765 0.90 MAPKAPK2 (0.60) MAPKAPK2ADRA1AMAOAMAOBPDE3B
SCHEMBL8562201 0.89 MAPKAPK2 (0.53) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL28495179 0.88 GABRA1 (0.52) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL8562199 0.88 MAPKAPK2 (0.50) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL7657783 0.84 EGFR (0.67) MAPKAPK2EGFRIGF1RFLT4KDR
SCHEMBL11845357 0.82 HTR1B (0.47) HTR1DHTR1B
SCHEMBL11844497 0.82 HTR1B (0.53) EGFRIGF1RFLT4KDRHTR1D
SCHEMBL11831865 0.82 HTR1D (0.66) MAPKAPK2KDRHTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105646330-B Aromatic heterocyclic derivative and application thereof in medicine 贵州医科大学 2020-12-11 CN disclosed
CN-105646330-A Heteroaromatic ring derivative and application thereof in drug 贵州医科大学 2016-06-08 CN disclosed
US-6380201-B1 Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F agonists ELI LILLY AND COMPANY 2002-04-30 US disclosed
EP-0749962-B1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles LILLY CO ELI (US) 2000-11-02 EP disclosed
US-5962473-A Methods of treating or ameliorating the symptoms of common cold or allergic rhinitis with serotonin 5-HT1F ELI LILLY AND COMPANY (US) 1999-10-05 US disclosed
US-5814653-A SUMATRIPTAN FOR RELIEF OF MIGRAINE PAIN AND OTHER DISORDERS ASSOCIATED WITH PEPTIDE EXTRAVASATION DIE TO STUMULATION OF THE TRIGEMINAL GANGLIA; 5-HT 1F AGONISTS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
EP-0832650-A2 Use of serotonin 5-HT1F agonists for the prevention of migraine ELI LILLY AND COMPANY (US) 1998-04-01 EP disclosed
EP-0824917-A2 Use of a serotonin 5-HTlf agonist in the manufacture of a medicament for treating or ameliorating the symptoms of common cold or allergic rhinitis ELI LILLY AND COMPANY (US) 1998-02-25 EP disclosed
US-5708187-A MIGRANE HEADACHES ELI LILLY AND COMPANY (US) 1998-01-13 US disclosed
EP-0749962-A1 6-substituted-1,2,3,4-tetrahydro-9H-carbazoles and 7-substituted-10H-cyclohepta(7,6-B)indoles ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
US-3948939-A 9-Acyl-1,2,3,4-tetrahydrocarbazole-3 and 4-carboxylic acids STERLING DRUG INC. (US) 1976-04-06 US disclosed