SCHEMBL8550140

SCHEMBL8550140

CCCNC(=O)c1ccc(N2CCN(C(C)CNC(=O)c3ccc4c(c3)CCOC4)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 6/20 0.45
CHRNA10 Q9GZZ6 1/20 0.45
CHRNA9 Q9UGM1 1/20 0.45
HDAC3 O15379 5/20 0.41
HDAC8 Q9BY41 5/20 0.41
PRKD1 Q15139 1/20 0.40
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
PRMT5 O14744 1/20 0.38
TP53 P04637 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
SCHEMBL8549102 0.90 SMN1; SMN2 (0.39) HDAC3HDAC8MAPTLMNAALDH1A1
SCHEMBL8551580 0.88 ALDH1A1 (0.38) HDAC3HDAC8MAPTLMNAALDH1A1
SCHEMBL8627748 0.83 MEN1 (0.45) MAPTLMNAALDH1A1SMN1; SMN2DRD2
SCHEMBL8553947 0.80 AKR1C3 (0.41) MAPTLMNAALDH1A1SMN1; SMN2DRD2
SCHEMBL8550138 0.78 DRD4 (0.44) NAMPTCHRNA10CHRNA9HDAC3HDAC8
SCHEMBL8548777 0.78 HTR1D (0.54) DRD2
SCHEMBL8550457 0.77 HTR1A (0.51) MAPTDRD2DRD3
SCHEMBL8549848 0.76 DRD2 (0.43) MAPTLMNADRD2PRMT5TP53
SCHEMBL8553219 0.76 HTR1A (0.52) MAPTDRD2DRD3
SCHEMBL8552310 0.75 HTR1A (0.48) MAPTALDH1A1DRD2DRD3

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
EP-0836599-A1 1,6-DISUBSTITUTED ISOCHROMANS FOR TREATMENT OF MIGRAINE HEADACHES PHARMACIA & UPJOHN COMPANY (US) 1998-04-22 EP claimed