SCHEMBL7983153

SCHEMBL7983153

O=C(NCC1CCN(CCCC2CCCCC2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 7/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
CACNA1I Q9P0X4 2/20 0.36
KCNH2 Q12809 1/20 0.36
CNR1 P21554 1/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
KDM1A O60341 1/20 0.35

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 SCHEMBL7982014 0.99 HTR4 (0.42) HTR4KMT2AMEN1CACNA1IKCNH2
SCHEMBL7982426 0.86 LTA4H (0.47) HTR4KCNH2HDAC6HDAC3HDAC4
SCHEMBL7986053 0.86 HTR7 (0.45) HTR4KDM1A
SCHEMBL7989635 0.86 LTA4H (0.45) HTR4HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL7971795 0.86 LTA4H (0.47) HTR4KCNH2HDAC6HDAC3HDAC4
SCHEMBL7989618 0.85 CCR5 (0.41) HTR4
SCHEMBL7972411 0.85 LTA4H (0.44) HTR4HDAC6HDAC3HDAC4
SCHEMBL7984555 0.85 HTR7 (0.44) HTR4KMT2AMEN1KDM1A
Hydrochloric Acid SCHEMBL7973177 0.85 LTA4H (0.44) HTR4HDAC6HDAC3HDAC4
Hydrochloric Acid SCHEMBL7982388 0.85 HTR7 (0.44) HTR4KDM1A

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