SCHEMBL7983390

SCHEMBL7983390

O=C(NCCCCN1CCc2ccccc2C1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
DRD3 P35462 2/20 0.52
ACKR3 P25106 1/20 0.49
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NCOR2 Q9Y618 1/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
ALDH1A1 P00352 2/20 0.42

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 SCHEMBL7987158 0.99 DRD2 (0.51) DRD2DRD3ACKR3PRMT5WDR77
SCHEMBL7972058 0.97 ACKR3 (0.52) DRD2DRD3ACKR3PRMT5WDR77
Hydrochloric Acid SCHEMBL7982252 0.96 ACKR3 (0.51) DRD2DRD3ACKR3PRMT5WDR77
SCHEMBL7981746 0.83 DRD3 (0.55) DRD2DRD3HTR2A
SCHEMBL7986218 0.83 DRD3 (0.48) DRD2DRD3SMN1; SMN2LMNATP53
Hydrochloric Acid SCHEMBL7989888 0.82 DRD3 (0.54) DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL7983764 0.82 DRD3 (0.47) DRD2DRD3SMN1; SMN2LMNATP53
SCHEMBL7982974 0.82 ADRA1D (0.42) DRD2DRD3TSHRCYP1A2CYP2D6
SCHEMBL7989648 0.82 SIGMAR1 (0.44) DRD2DRD3HTR7HTR6HTR2A
SCHEMBL7981795 0.81 DRD3 (0.39) DRD2DRD3HTR2A

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 3 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-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed