SCHEMBL6998550

SCHEMBL6998550

N#Cc1ccc2c(ccn2CC2CCN(CCc3ccccc3)C2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 2/20 0.49
P2RX7 Q99572 1/20 0.48
PRMT5 O14744 1/20 0.43
CCR3 P51677 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 2/20 0.40
KCNJ1 P48048 1/20 0.40
ACHE P22303 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM1A O60341 1/20 0.39

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 SCHEMBL7950663 0.99 DRD2 (0.48) DRD2DRD3P2RX7PRMT5CCR3
SCHEMBL6994174 0.94 DRD2 (0.51) DRD2DRD3P2RX7PRMT5CCR3
Hydrochloric Acid SCHEMBL7952452 0.93 DRD2 (0.50) DRD2DRD3P2RX7PRMT5CCR3
SCHEMBL7002079 0.93 DRD2 (0.50) DRD2DRD3P2RX7PRMT5CCR3
Hydrochloric Acid SCHEMBL7952278 0.92 DRD2 (0.49) DRD2DRD3PRMT5CCR3HRH3
SCHEMBL6991633 0.90 P2RX7 (0.47) DRD2DRD3P2RX7PRMT5CCR3
Hydrochloric Acid SCHEMBL7950551 0.89 P2RX7 (0.46) DRD2DRD3P2RX7PRMT5HRH3
SCHEMBL7000086 0.87 DRD2 (0.52) DRD2DRD3P2RX7PRMT5CCR3
Hydrochloric Acid SCHEMBL7951962 0.86 DRD2 (0.51) DRD2DRD3P2RX7PRMT5CCR3
SCHEMBL6991629 0.84 HRH3 (0.51) DRD2DRD3PRMT5HRH3HTR1A

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