SCHEMBL6999548

SCHEMBL6999548

N#Cc1ccc2ccn(CC3CCN(Cc4ccccc4Cl)C3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 8/20 0.46
ALDH1A1 P00352 6/20 0.43
ATM Q13315 1/20 0.43
PRMT5 O14744 1/20 0.43
TSHR P16473 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40
USP2 O75604 2/20 0.40
POLB P06746 1/20 0.40
DPP4 P27487 1/20 0.40
KCNH2 Q12809 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 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 SCHEMBL7943618 0.99 CXCR4 (0.45) CXCR4ALDH1A1ATMPRMT5TSHR
SCHEMBL6997268 0.93 CXCR4 (0.45) CXCR4ALDH1A1ATMPRMT5
Hydrochloric Acid SCHEMBL7945183 0.92 CXCR4 (0.44) CXCR4ALDH1A1ATMPRMT5
SCHEMBL6991686 0.90 PRMT5 (0.41) ALDH1A1PRMT5TSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL7952271 0.89 KCNH2 (0.42) ALDH1A1PRMT5TSHRHSD17B10KDM4E
SCHEMBL6993372 0.88 ALDH1A1 (0.48) ALDH1A1PRMT5TSHRHSD17B10KDM4E
Hydrochloric Acid SCHEMBL7950497 0.87 ALDH1A1 (0.47) ALDH1A1PRMT5TSHRHSD17B10KDM4E
SCHEMBL6995870 0.83 KDM4E (0.47) CXCR4ALDH1A1ATMPRMT5TSHR
Hydrochloric Acid SCHEMBL7954259 0.82 KDM4E (0.46) CXCR4ALDH1A1ATMPRMT5TSHR
SCHEMBL6991633 0.81 P2RX7 (0.47) PRMT5

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