SCHEMBL7971613

SCHEMBL7971613

O=C(NCC1CCN(CCc2ccccc2F)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GSK3B P49841 5/20 0.39
ACHE P22303 2/20 0.38
MEN1 O00255 1/20 0.38
CACNA1G O43497 1/20 0.38
POLB P06746 3/20 0.38
CCR3 P51677 1/20 0.36
HTR2A P28223 5/20 0.36
HTR4 Q13639 4/20 0.36
HTR2C P28335 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 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 SCHEMBL7982520 0.99 KMT2A (0.40) KMT2AGSK3BACHEMEN1CACNA1G
SCHEMBL7971786 0.95 KMT2A (0.40) KMT2AGSK3BACHEMEN1POLB
Hydrochloric Acid SCHEMBL7985629 0.94 KMT2A (0.39) KMT2AGSK3BACHEMEN1POLB
SCHEMBL7971862 0.90 TP53 (0.40) GSK3B
Hydrochloric Acid SCHEMBL7982031 0.89 TP53 (0.39) HTR2AHTR4
SCHEMBL7981833 0.88 HTR4 (0.47) GSK3BACHEHTR2AHTR4
SCHEMBL7982581 0.88 CCR3 (0.46) GSK3BCCR3HTR2AHTR4HTR2C
Hydrochloric Acid SCHEMBL7986403 0.87 HTR4 (0.47) GSK3BACHEHTR2AHTR4
SCHEMBL7971626 0.87 HTR7 (0.44) GSK3B
Hydrochloric Acid SCHEMBL7983273 0.87 CCR3 (0.45) GSK3BCCR3HTR2AHTR4HTR2C

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