SCHEMBL6991629

SCHEMBL6991629

N#Cc1ccc2ccn(CC3CCN(CCc4ccc5ccccc5c4)C3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.51
SLC6A4 P31645 2/20 0.44
PRMT5 O14744 1/20 0.42
HTR1A P08908 1/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
USP2 O75604 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 1/20 0.40

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 SCHEMBL7943799 0.99 HRH3 (0.50) HRH3SLC6A4PRMT5HTR1ADRD2
SCHEMBL7002079 0.91 DRD2 (0.50) HRH3PRMT5DRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL7952278 0.90 DRD2 (0.49) HRH3PRMT5DRD2DRD3ALDH1A1
SCHEMBL6995202 0.87 HRH3 (0.45) HRH3DRD2DRD3ALDH1A1TSHR
SCHEMBL6998697 0.87 HRH3 (0.43) HRH3PRMT5DRD2DRD3ALDH1A1
SCHEMBL6998142 0.87 HRH3 (0.45) HRH3SLC6A4HTR1A
SCHEMBL6998552 0.87 HRH3 (0.43) HRH3SLC6A4PRMT5HTR1ADRD2
Hydrochloric Acid SCHEMBL7953973 0.86 HRH3 (0.44) HRH3DRD2DRD3ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7943915 0.86 HRH3 (0.44) HRH3SLC6A4HTR1A
Hydrochloric Acid SCHEMBL7950618 0.86 HRH3 (0.42) HRH3SLC6A4PRMT5HTR1ADRD2

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