SCHEMBL6471641

SCHEMBL6471641

CC[N+](C)(C)Oc1c(-c2ccccc2)n(C(C)=O)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 1/20 0.40
CREBBP Q92793 1/20 0.40
AGTR1 P30556 2/20 0.39
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
P2RX4 Q99571 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
SCHEMBL6440276 0.83 POLB (0.49) POLBNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6920262 0.83 AGTR1 (0.39) POLBNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6471642 0.77 POLB (0.44) POLBNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL6918965 0.76 CYP19A1 (0.46) POLBNPC1RAB9AALDH1A1KDM4E
SCHEMBL6922115 0.75 ELANE (0.44) AGTR1LMNAP2RX4NPSR1TSHR
SCHEMBL7128402 0.75 PTGS2 (0.47) RAB9AALDH1A1KDM4EHPGDAGTR1
SCHEMBL6920229 0.75 P2RX4 (0.47) ALDH1A1HPGDAGTR1LMNAMAPT
SCHEMBL3565673 0.74 ALDH1A1 (0.45) POLBALDH1A1KDM4ESMN1; SMN2MEN1
SCHEMBL3628018 0.72 POLB (0.59) POLBNPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL28043494 0.68 POLB (0.53) POLBNPC1RAB9AL3MBTL1ALDH1A1

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-1567492-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES Suven Life Sciences Limited (IN) 2005-08-31 EP disclosed
WO-2004048328-A2 N-ARYLSULFONYL-3-AMINOALKOXYINDOLES SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed