SCHEMBL7989275

SCHEMBL7989275

O=C(NCC1CCN(CCCc2ccc(F)cc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 6/20 0.47
KDM1A O60341 9/20 0.43
HDAC6 Q9UBN7 6/20 0.43
LTA4H P09960 1/20 0.42
GRIN2B Q13224 1/20 0.38

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 SCHEMBL7986155 0.99 CCR3 (0.47) CCR3KDM1AHDAC6LTA4HGRIN2B
SCHEMBL7982581 0.95 CCR3 (0.46) CCR3
Hydrochloric Acid SCHEMBL7983273 0.94 CCR3 (0.45) CCR3
SCHEMBL7982426 0.93 LTA4H (0.47) KDM1AHDAC6LTA4HGRIN2B
SCHEMBL7983503 0.92 KDM1A (0.42) CCR3KDM1ALTA4HGRIN2B
Hydrochloric Acid SCHEMBL7986708 0.92 LTA4H (0.44) CCR3KDM1AHDAC6LTA4HGRIN2B
SCHEMBL7986487 0.92 LTA4H (0.42) CCR3KDM1AHDAC6LTA4HGRIN2B
SCHEMBL7972913 0.92 LTA4H (0.42) CCR3KDM1AHDAC6LTA4HGRIN2B
Hydrochloric Acid SCHEMBL7971795 0.92 LTA4H (0.47) KDM1AHDAC6LTA4HGRIN2B
Hydrochloric Acid SCHEMBL7981947 0.91 KDM1A (0.41) CCR3KDM1ALTA4HGRIN2B

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