SCHEMBL7984507

SCHEMBL7984507

O=C(NCc1ccccc1CN1CCC(c2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR3 P51677 2/20 0.38
DRD2 P14416 4/20 0.37
CHRM4 P08173 1/20 0.36
ACKR3 P25106 1/20 0.36
METTL3 Q86U44 1/20 0.36
KMT2A Q03164 2/20 0.35
DRD4 P21917 3/20 0.34
DRD3 P35462 3/20 0.34
USP5 P45974 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34

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
Hydrochloric Acid SCHEMBL7987847 0.99 OGA (0.40) OGAHTTSMN1; SMN2CCR3DRD2
SCHEMBL7983767 0.91 MEN1 (0.43) OGAHTTSMN1; SMN2DRD2CHRM4
Hydrochloric Acid SCHEMBL7971699 0.90 MEN1 (0.42) OGAHTTSMN1; SMN2DRD2CHRM4
SCHEMBL7986651 0.85 USP5 (0.38) OGAHTTSMN1; SMN2DRD2ACKR3
SCHEMBL7982970 0.85 ADRA1D (0.45) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL7972919 0.84 ADRA1D (0.44) DRD2DRD3SIGMAR1
Hydrochloric Acid SCHEMBL7971588 0.84 USP5 (0.38) OGAHTTSMN1; SMN2DRD2ACKR3
SCHEMBL7982974 0.84 ADRA1D (0.42) CCR3DRD2KMT2ADRD4DRD3
SCHEMBL7986596 0.84 PRMT5 (0.43)
SCHEMBL7982022 0.84 DRD2 (0.36) OGAHTTSMN1; SMN2DRD2DRD3

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed