SCHEMBL7982022

SCHEMBL7982022

O=C(NC[C@H]1CC[C@H](CN2CCC(c3ccccc3)CC2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.36
OGA O60502 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NAPEPLD Q6IQ20 4/20 0.36
HTR4 Q13639 3/20 0.35
HTR1A P08908 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35
OPRL1 P41146 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR5 P51681 4/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 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 SCHEMBL7983158 0.99 DRD2 (0.36) DRD2OGAHTTSMN1; SMN2NAPEPLD
SCHEMBL7986067 0.90 NAPEPLD (0.36) NAPEPLDHTR4OPRL1
Hydrochloric Acid SCHEMBL7971952 0.89 NAPEPLD (0.35) NAPEPLDHTR4OPRL1
SCHEMBL7986050 0.85 NPC1 (0.40) OPRL1KCNH2CCR5
Hydrochloric Acid SCHEMBL7986635 0.84 NPC1 (0.39) OPRL1KCNH2CCR5
SCHEMBL7982970 0.84 ADRA1D (0.45) DRD2HTR1AHTR2ADRD3
SCHEMBL7986651 0.84 USP5 (0.38) DRD2OGAHTTSMN1; SMN2HTR1A
SCHEMBL7983124 0.84 HDAC3 (0.51) DRD2HTR4HDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL7972919 0.84 ADRA1D (0.44) DRD2HTR1AHTR2ADRD3
SCHEMBL7984507 0.84 OGA (0.40) DRD2OGAHTTSMN1; SMN2DRD3

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 5 patents. 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
EP-0954589-A1 SYNTHETIC LEADER PEPTIDE SEQUENCES NOVO NORDISK A/S (DK) 1999-11-10 EP disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1998032867-A1 SYNTHETIC LEADER PEPTIDE SEQUENCES NOVO NORDISK A/S (DK) 1998-07-30 WO disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed