SCHEMBL7986097

SCHEMBL7986097

O=C(CN1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1)Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
DRD4 P21917 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
THRB P10828 1/20 0.41
GSK3B P49841 1/20 0.40
ATM Q13315 1/20 0.40
OGA O60502 1/20 0.39
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
POLB P06746 1/20 0.39
REV1 Q9UBZ9 1/20 0.39

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 SCHEMBL7989779 0.99 SMN1; SMN2 (0.42) SMN1; SMN2LMNAHTTDRD4ALDH1A1
SCHEMBL7983020 0.93 GSK3B (0.47) SMN1; SMN2LMNAHTTDRD4ALDH1A1
Hydrochloric Acid SCHEMBL7989390 0.92 GSK3B (0.46) SMN1; SMN2LMNAHTTDRD4ALDH1A1
SCHEMBL7971581 0.88 LMNA (0.42) SMN1; SMN2LMNADRD4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL7971812 0.88 LMNA (0.42) SMN1; SMN2LMNADRD4ALDH1A1KDM4E
SCHEMBL7983350 0.86 FAAH (0.38) SMN1; SMN2LMNADRD4ALDH1A1GSK3B
SCHEMBL7982581 0.85 CCR3 (0.46) GSK3B
Hydrochloric Acid SCHEMBL7972026 0.85 FAAH (0.37) SMN1; SMN2LMNADRD4ALDH1A1GSK3B
Hydrochloric Acid SCHEMBL7983273 0.85 CCR3 (0.45) GSK3B
SCHEMBL7989275 0.84 CCR3 (0.47)

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