SCHEMBL7804107

SCHEMBL7804107

COc1cncnc1N1CCN(CCCn2ncc3ccc(-n4cnnc4)cc32)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD4 P21917 3/20 0.35
HTR1B P28222 3/20 0.35
HTR2A P28223 3/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2C P18825 2/20 0.35
HRH2 P25021 2/20 0.35
HTR7 P34969 2/20 0.35
ADRA1A P35348 2/20 0.35
HRH1 P35367 2/20 0.35
ADRA1B P35368 2/20 0.35
HTR2B P41595 2/20 0.35

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
SCHEMBL7804151 0.93 MCHR1 (0.40) HTR1AMEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8031232 0.92 MCHR1 (0.39) HTR1AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7804132 0.86 ACHE (0.35) HTR1AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7798306 0.86 DRD2 (0.37) HTR1AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7808760 0.85 HTR1A (0.39) HTR1AMEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8031099 0.85 ACHE (0.35) HTR1AMEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8035086 0.85 DRD2 (0.36) HTR1AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7803871 0.82 ABCB1 (0.38) HTR1AMEN1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8035161 0.82 ABCB1 (0.38) HTR1AMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL7806989 0.82 ACHE (0.41) HTR1AMEN1CYP3A4KMT2ADRD4

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 7 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
US-6046205-A FOR TREATMENT OF VENOUS INSUFFICIENCY AND OF ASSOCIATED DISORDERS, AND ALSO IN THE TREATMENT OF MIGRAINE ADIR ET COMPAGNIE (FR) 2000-04-04 US disclosed
US-6020336-A Indole and indazole compounds LES LABORATOIRES SERVIER (FR) 2000-02-01 US 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