SCHEMBL7798145

SCHEMBL7798145

CC(N(C)C)n1ncc2ccc(-n3cnnc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.35
HTR2A P28223 4/20 0.33
HTR2C P28335 4/20 0.33
HTR2B P41595 3/20 0.33
HTR1A P08908 2/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
ADRA2C P18825 2/20 0.33
HTR1D P28221 2/20 0.33
HTR7 P34969 1/20 0.33
HTR4 Q13639 1/20 0.33
HTR1B P28222 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
LMNA P02545 1/20 0.32
NOTUM Q6P988 1/20 0.30
PTGER3 P43115 1/20 0.30

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 SCHEMBL8021863 0.99 KMO (0.34) KMOHTR2AHTR2CHTR2BHTR1A
SCHEMBL7804915 0.89 HTR2A (0.33) HTR2AHTR2CHTR1DHTR1BCYP1A2
SCHEMBL7804929 0.77 CYP19A1 (0.40) KMOHTR2AHTR2CHTR2BHTR1A
SCHEMBL7256657 0.77 KMO (0.40) KMOHTR2AHTR2CHTR2BHTR1A
SCHEMBL7253093 0.76 LRRK2 (0.41) LMNA
Hydrochloric Acid SCHEMBL8031599 0.76 CYP19A1 (0.39) KMOHTR2AHTR2CHTR2BHTR1A
Hydrochloric Acid SCHEMBL8035283 0.75 HTR1D (0.32) HTR1DHTR1BCYP1A2CYP2C9LMNA
SCHEMBL7798149 0.71 HTR1D (0.41) KMOHTR2AHTR2CHTR2BHTR1A
Hydrochloric Acid SCHEMBL8021866 0.70 HTR1D (0.41) KMOHTR2AHTR2CHTR2BHTR1A
Hydrochloric Acid SCHEMBL8031631 0.69 HTR1D (0.32) HTR1DHTR1BCYP1A2CYP2C9LMNA

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 5 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
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