SCHEMBL7971580

SCHEMBL7971580

NC(=O)C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.35
CACNA1I Q9P0X4 2/20 0.35
MCHR1 Q99705 3/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
FPR2 P25090 1/20 0.34
TEAD1 P28347 2/20 0.33
CHRM4 P08173 1/20 0.33
P2RX7 Q99572 1/20 0.33
HTR4 Q13639 1/20 0.33
PIM1 P11309 2/20 0.32
RPS6KB1 P23443 1/20 0.32
CNR2 P34972 1/20 0.32

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 SCHEMBL7971809 0.99 KCNH2 (0.35) KCNH2CACNA1IMCHR1HTR1AADRA2A
SCHEMBL7983015 0.88 TPSAB1 (0.38) HTR4
SCHEMBL7983347 0.88 CNR2 (0.34) CHRM4P2RX7HTR4PIM1CNR2
SCHEMBL7986094 0.88 ADORA2A (0.34) KCNH2HTR4RPS6KB1CNR2
Hydrochloric Acid SCHEMBL7989389 0.88 TPSAB1 (0.37) HTR4
Hydrochloric Acid SCHEMBL7985987 0.87 CNR2 (0.34) CHRM4P2RX7HTR4PIM1CNR2
Hydrochloric Acid SCHEMBL7989777 0.87 ADORA2A (0.34) KCNH2HTR4RPS6KB1CNR2
SCHEMBL7971581 0.82 LMNA (0.42) KCNH2CACNA1ICHRM4
Hydrochloric Acid SCHEMBL7971812 0.81 LMNA (0.42) KCNH2CACNA1ICHRM4
SCHEMBL7989660 0.80 USP30 (0.38) HTR4CNR2

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