SCHEMBL6998697

SCHEMBL6998697

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
SLC6A3 Q01959 1/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
CCR3 P51677 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
HSD17B10 Q99714 3/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
PRMT5 O14744 1/20 0.39
HTR2A P28223 2/20 0.39
USP2 O75604 1/20 0.39
POLB P06746 1/20 0.39
HTR2C P28335 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 SCHEMBL7954300 0.99 HRH3 (0.42) HRH3MAOAMAOBSLC6A3DRD2
SCHEMBL6995202 0.89 HRH3 (0.45) HRH3MAOAMAOBDRD2DRD3
SCHEMBL7002079 0.89 DRD2 (0.50) HRH3DRD2DRD3CCR3KDM4E
SCHEMBL6998552 0.89 HRH3 (0.43) HRH3DRD2DRD3L3MBTL1KDM4E
Hydrochloric Acid SCHEMBL7953973 0.89 HRH3 (0.44) HRH3DRD2DRD3CCR3KDM4E
Hydrochloric Acid SCHEMBL7952278 0.88 DRD2 (0.49) HRH3DRD2DRD3CCR3KDM4E
Hydrochloric Acid SCHEMBL7950618 0.88 HRH3 (0.42) HRH3DRD2DRD3L3MBTL1KDM4E
SCHEMBL6991629 0.87 HRH3 (0.51) HRH3DRD2DRD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7943799 0.86 HRH3 (0.50) HRH3DRD2DRD3KDM4EALDH1A1
SCHEMBL7000086 0.83 DRD2 (0.52) DRD2DRD3CCR3KDM4EALDH1A1

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