SCHEMBL6998552

SCHEMBL6998552

N#Cc1ccc2ccn(CC3CCN(CCc4cccc(Cl)c4)C3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 2/20 0.39
HTT P42858 2/20 0.39
PRMT5 O14744 1/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 1/20 0.39
HTR7 P34969 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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 SCHEMBL7950618 0.99 HRH3 (0.42) HRH3DRD2DRD3HTR1ASLC6A4
SCHEMBL6995870 0.90 KDM4E (0.47) ALDH1A1KDM4ETSHRHSD17B10HPGD
Hydrochloric Acid SCHEMBL7954259 0.90 KDM4E (0.46) ALDH1A1KDM4ETSHRHSD17B10HPGD
SCHEMBL7002079 0.89 DRD2 (0.50) HRH3DRD2DRD3ALDH1A1KDM4E
SCHEMBL6998697 0.89 HRH3 (0.43) HRH3DRD2DRD3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7952278 0.88 DRD2 (0.49) HRH3DRD2DRD3ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7954300 0.88 HRH3 (0.42) HRH3DRD2DRD3ALDH1A1KDM4E
SCHEMBL6991629 0.87 HRH3 (0.51) HRH3DRD2DRD3HTR1ASLC6A4
Hydrochloric Acid SCHEMBL7943799 0.86 HRH3 (0.50) HRH3DRD2DRD3HTR1ASLC6A4
SCHEMBL6991686 0.84 PRMT5 (0.41) HRH3HTR1ASLC6A4ALDH1A1KDM4E

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