SCHEMBL7986176

SCHEMBL7986176

O=C(NCC1CCN(CCCc2cccc(C(F)(F)F)c2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.46
CACNA1I Q9P0X4 2/20 0.46
GLS O94925 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM4 P08173 1/20 0.39
CCR2 P41597 1/20 0.39
CCR3 P51677 1/20 0.39
UBE2M P61081 3/20 0.38
DCUN1D1 Q96GG9 3/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.38
LTA4H P09960 1/20 0.38
MAOB P27338 1/20 0.37
MCHR1 Q99705 1/20 0.37

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 SCHEMBL7971933 0.99 KCNH2 (0.46) KCNH2CACNA1IGLSALDH1A1CHRM4
SCHEMBL7989836 0.92 KCNH2 (0.41) KCNH2CACNA1ICHRM4CCR3UBE2M
Hydrochloric Acid SCHEMBL7986552 0.92 KCNH2 (0.41) KCNH2CACNA1ICHRM4CCR3UBE2M
SCHEMBL7983503 0.90 KDM1A (0.42) CCR3LTA4H
SCHEMBL7989617 0.90 PIM1 (0.43) KCNH2GLSCHRM4CCR3CHRM2
Hydrochloric Acid SCHEMBL7981947 0.89 KDM1A (0.41) CCR3LTA4H
Hydrochloric Acid SCHEMBL7982551 0.89 PIM1 (0.43) KCNH2GLSCHRM4CCR3CHRM2
SCHEMBL7982426 0.89 LTA4H (0.47) KCNH2ALDH1A1CHRM4LTA4HMAOB
SCHEMBL7981938 0.89 CACNA1I (0.43) KCNH2CACNA1ILTA4H
Hydrochloric Acid SCHEMBL7971795 0.88 LTA4H (0.47) KCNH2ALDH1A1CHRM4LTA4HMAOB

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