SCHEMBL6921965

SCHEMBL6921965

CC[N+](C)(C)Oc1cn(Cc2ccccc2)c2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 11/20 0.47
SCN2A Q99250 1/20 0.45
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
P2RX7 Q99572 4/20 0.39
P2RX3 P56373 1/20 0.38

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
SCHEMBL6919392 0.90 CHRNB2 (0.42) KCNA3SCN2ACHRNB2CHRNA7CHRNA4
SCHEMBL6921968 0.76 KCNA3 (0.46) KCNA3SCN2ACNR1CNR2P2RX7
SCHEMBL6917237 0.76 HTR6 (0.39) CNR2CHRNB2CHRNA7CHRNA4
SCHEMBL6817307 0.75 HTR6 (0.47) KCNA3SCN2A
SCHEMBL6921379 0.71 HTR6 (0.38)
SCHEMBL6922120 0.70 MAPT (0.42)
SCHEMBL6918823 0.70 AKR1C3 (0.43)
SCHEMBL25322976 0.69 KCNA3 (0.47) KCNA3SCN2ACNR1CNR2
SCHEMBL17829679 0.69 ALDH1A1 (0.57) KCNA3CNR1CNR2
SCHEMBL3105145 0.69 SERPINE1 (0.59) CNR1CNR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO claimed