SCHEMBL6999032

SCHEMBL6999032

N#Cc1ccc2ccn(CC3CCN(CCc4cccc5ccccc45)C3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR6 P50406 4/20 0.41
PRMT5 O14744 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TSHR P16473 4/20 0.39
HSD17B10 Q99714 4/20 0.39
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
USP2 O75604 2/20 0.39
POLB P06746 1/20 0.39
CCR3 P51677 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KDM1A O60341 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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 SCHEMBL7951876 0.99 HTR1A (0.42) HTR1ASLC6A4HTR6PRMT5ALDH1A1
SCHEMBL6991686 0.88 PRMT5 (0.41) HTR1ASLC6A4PRMT5ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7952271 0.87 KCNH2 (0.42) HTR1ASLC6A4PRMT5ALDH1A1TSHR
SCHEMBL7002079 0.85 DRD2 (0.50) PRMT5ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL6991629 0.85 HRH3 (0.51) HTR1ASLC6A4PRMT5ALDH1A1TSHR
Hydrochloric Acid SCHEMBL7952278 0.84 DRD2 (0.49) PRMT5ALDH1A1TSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL7943799 0.84 HRH3 (0.50) HTR1ASLC6A4PRMT5ALDH1A1TSHR
SCHEMBL7000086 0.82 DRD2 (0.52) HTR1APRMT5ALDH1A1TSHRHSD17B10
SCHEMBL6998697 0.81 HRH3 (0.43) PRMT5ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL6998552 0.81 HRH3 (0.43) HTR1ASLC6A4PRMT5ALDH1A1TSHR

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