SCHEMBL6998142

SCHEMBL6998142

COc1ccc(CCN2CCC(Cn3ccc4ccc(C#N)cc43)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.45
HTR1A P08908 4/20 0.44
SLC6A4 P31645 4/20 0.44
SIGMAR1 Q99720 1/20 0.42
MAOB P27338 1/20 0.41

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 SCHEMBL7943915 0.99 HRH3 (0.44) HRH3HTR1ASLC6A4SIGMAR1MAOB
SCHEMBL6995202 0.87 HRH3 (0.45) HRH3SIGMAR1MAOB
SCHEMBL7002079 0.87 DRD2 (0.50) HRH3
Hydrochloric Acid SCHEMBL7953973 0.87 HRH3 (0.44) HRH3SIGMAR1
SCHEMBL6991629 0.87 HRH3 (0.51) HRH3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL7952278 0.86 DRD2 (0.49) HRH3
Hydrochloric Acid SCHEMBL7943799 0.86 HRH3 (0.50) HRH3HTR1ASLC6A4
SCHEMBL6998550 0.82 DRD2 (0.49) HRH3HTR1ASLC6A4
SCHEMBL7000086 0.82 DRD2 (0.52) HTR1ASIGMAR1
Hydrochloric Acid SCHEMBL7950663 0.82 DRD2 (0.48) HRH3HTR1ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023898-B1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands SERVIER LAB (FR) 2003-03-12 EP disclosed
EP-1023898-A1 Cyano-indoles as serotonine reuptake inhibitors and as 5-HT2c receptor ligands ADIR ET COMPAGNIE (FR) 2000-08-02 EP disclosed