SCHEMBL6921968

SCHEMBL6921968

CCN(C)COc1cn(Cc2ccccc2)c2cc(Cl)ccc12

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 10/20 0.46
SCN2A Q99250 1/20 0.43
PRMT5 O14744 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAT2A P31153 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
HTR6 P50406 3/20 0.39
P2RX7 Q99572 2/20 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
SCHEMBL6919395 0.91 HTR6 (0.42) KCNA3HTR6P2RX7
SCHEMBL6817307 0.82 HTR6 (0.47) KCNA3SCN2AHTR6
SCHEMBL6921965 0.76 KCNA3 (0.47) KCNA3SCN2ACNR1CNR2P2RX7
SCHEMBL6821065 0.73 HTR6 (0.50) HTR6
SCHEMBL6922123 0.71 MAPT (0.41)
SCHEMBL6918827 0.71 HTR6 (0.44) HTR6
SCHEMBL6820454 0.68 HTR6 (0.61) CYP1A2HTR6
SCHEMBL25322976 0.67 KCNA3 (0.47) KCNA3SCN2ACYP1A2CNR1CNR2
SCHEMBL17829679 0.67 ALDH1A1 (0.57) KCNA3CYP1A2CNR1CNR2
SCHEMBL3105145 0.67 SERPINE1 (0.59) CYP1A2CNR1CNR2

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