SCHEMBL7798149

SCHEMBL7798149

CN(C)CCn1ncc2ccc(-n3cnnc3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 2/20 0.41
HTR1B P28222 1/20 0.41
KCNH2 Q12809 2/20 0.41
MCHR1 Q99705 2/20 0.41
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
HTR2B P41595 4/20 0.40
KMO O15229 4/20 0.39
EGFR P00533 3/20 0.39
HTR1A P08908 2/20 0.37
ADRA2A P08913 2/20 0.37
ADRA2B P18089 2/20 0.37
ADRA2C P18825 2/20 0.37
HTR7 P34969 1/20 0.37
HTR4 Q13639 1/20 0.37
NOTUM Q6P988 1/20 0.34
CSNK2A2 P19784 2/20 0.34
CYP11B2 P19099 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33

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
Hydrochloric Acid SCHEMBL8021866 0.99 HTR1D (0.41) HTR1DHTR1BKCNH2MCHR1HTR2A
SCHEMBL7804917 0.89 MCHR1 (0.50) HTR1DHTR1BKCNH2MCHR1HTR2A
Hydrochloric Acid SCHEMBL8035365 0.88 MCHR1 (0.49) HTR1DHTR1BKCNH2MCHR1HTR2A
SCHEMBL7804933 0.79 CYP19A1 (0.40) HTR1DKCNH2MCHR1HTR2AHTR2C
SCHEMBL17678355 0.79 KMO (0.61) HTR1DKCNH2MCHR1HTR2AHTR2C
Hydrochloric Acid SCHEMBL8031604 0.78 CYP19A1 (0.39) HTR1DKCNH2MCHR1HTR2AHTR2C
SCHEMBL7253603 0.77 KMO (0.59) HTR1DKCNH2MCHR1HTR2AHTR2C
SCHEMBL31079475 0.77 HTR2A (0.66) HTR1DKCNH2MCHR1HTR2AHTR2C
SCHEMBL27165371 0.77 HTR2A (0.57) KCNH2MCHR1HTR2AHTR2CHTR2B
SCHEMBL6070011 0.77 HTR2A (0.47) HTR1DKCNH2MCHR1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP claimed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US claimed
CN-1218052-A Novel indole and indazole compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1999-06-02 CN claimed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP claimed
EP-0902027-B1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR (FR) 2001-07-25 EP disclosed
EP-0902027-A1 Indole and indazole derivatives, process for their preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1999-03-17 EP disclosed