SCHEMBL7990607

SCHEMBL7990607

O=C(NCC1CCN(CCCc2ccncc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
LTA4H P09960 1/20 0.41
GSK3B P49841 3/20 0.40
HTR4 Q13639 3/20 0.38
CCR3 P51677 1/20 0.38
CACNA1I Q9P0X4 1/20 0.36
KDM1A O60341 7/20 0.36
HDAC6 Q9UBN7 6/20 0.36
HDAC3 O15379 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KCNH2 Q12809 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
CHRM4 P08173 1/20 0.36

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 SCHEMBL7971894 0.99 GRIN2B (0.40) GRIN2BLTA4HGSK3BHTR4CCR3
SCHEMBL7982426 0.93 LTA4H (0.47) GRIN2BLTA4HGSK3BHTR4KDM1A
Hydrochloric Acid SCHEMBL7971795 0.93 LTA4H (0.47) GRIN2BLTA4HGSK3BHTR4KDM1A
SCHEMBL7989275 0.91 CCR3 (0.47) GRIN2BLTA4HCCR3KDM1AHDAC6
SCHEMBL7972913 0.91 LTA4H (0.42) GRIN2BLTA4HHTR4CCR3CACNA1I
Hydrochloric Acid SCHEMBL7986708 0.91 LTA4H (0.44) GRIN2BLTA4HGSK3BHTR4CCR3
SCHEMBL7986487 0.91 LTA4H (0.42) GRIN2BLTA4HHTR4CCR3KDM1A
SCHEMBL7989635 0.91 LTA4H (0.45) GRIN2BLTA4HGSK3BHTR4CCR3
SCHEMBL7989836 0.91 KCNH2 (0.41) LTA4HGSK3BCCR3CACNA1IKDM1A
Hydrochloric Acid SCHEMBL7986155 0.90 CCR3 (0.47) GRIN2BLTA4HCCR3KDM1AHDAC6

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