SCHEMBL8828664

SCHEMBL8828664

CCC(O)N1CCN(c2ccccc2NC(=O)C(F)(F)F)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 10/20 0.47
KCNQ3 O43525 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KCNE1 P15382 1/20 0.47
KCNQ1 P51787 1/20 0.47
KCNQ4 P56696 1/20 0.47
GLA P06280 1/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL8828471 0.85 KCNQ2 (0.51) KCNQ2KCNQ3CYP1A2CYP3A4CYP2D6
SCHEMBL4078674 0.78 GAA (0.44) KCNQ2KCNQ3CYP1A2CYP3A4CYP2D6
SCHEMBL5104674 0.78 NPSR1 (0.63) KCNQ2GLATSHRMAPTALDH1A1
SCHEMBL3070911 0.76 NPSR1 (0.65) KCNQ2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7833448 0.76 CHEK1 (0.50) SMN1; SMN2NPSR1GAAMEN1KMT2A
SCHEMBL8828431 0.75 CYP2D6 (0.48) CYP2D6CYP2C9TSHRMAPTALDH1A1
SCHEMBL9991702 0.70 TP53 (0.43) TSHRMAPTPOLB
SCHEMBL6506614 0.69 DRD2 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9TSHR
SCHEMBL8828398 0.69 KMT2A (0.56) MAPTALDH1A1SMN1; SMN2NPSR1GAA
SCHEMBL28718374 0.67 CHRNA7 (0.55) TSHRMAPTALDH1A1MEN1KMT2A

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
US-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 US disclosed