SCHEMBL6996074

SCHEMBL6996074

N#Cc1ccc2ccn(CCCNCCN3CCCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
TSHR P16473 4/20 0.47
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
USP2 O75604 2/20 0.47
POLB P06746 1/20 0.47
HTR7 P34969 6/20 0.47
P2RX7 Q99572 1/20 0.44
PRMT5 O14744 1/20 0.42
KDM1A O60341 1/20 0.42
HRH3 Q9Y5N1 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SCN7A Q01118 2/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
SCN2A Q99250 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
SCHEMBL6994165 0.99 HTR7 (0.47) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL6996542 0.77 ALDH1A1 (0.60) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL6992487 0.76 NOS3 (0.51) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL8430655 0.73 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL6995817 0.73 ALDH1A1 (0.49) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL9994932 0.73 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL8255718 0.73 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL9995116 0.72 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL8430662 0.70 ALDH1A1 (0.48) ALDH1A1TSHRHSD17B10KDM4EHPGD
SCHEMBL6990971 0.70 HTR2A (0.50) ALDH1A1TSHRHSD17B10KDM4EHPGD

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 3 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
US-6239129-B1 CHARACTERISED BY AN INDOLE RING ON THE AROMATIC MOIETY BY A CYANO GROUP AND ON THE INDOLE NITROGEN BY AN AMINOALKYL CHAIN. GREAT AFFINITY FOR 5-HT2C RECEPTORS, USEFUL FOR DEPRESSION, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, ADIR ET COMPAGNIE (FR) 2001-05-29 US 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