SCHEMBL7961272

SCHEMBL7961272

CCOC(=O)C1=CCN(C)N1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
BAZ2A Q9UIF9 1/20 0.39
HPGD P15428 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37
CA14 Q9ULX7 3/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL6561033 0.81 LMNA (0.39) TSHRHPGDSMN1; SMN2NPSR1CA12
SCHEMBL14108876 0.72 TSHR (0.36) TSHRHPGDSMN1; SMN2NPSR1CA12
SCHEMBL10447298 0.67 TSHR (0.48) TSHRHPGDSMN1; SMN2CA12CA1
SCHEMBL14195937 0.67 CYP1A2 (0.48) TSHRCYP1A2LMNACYP2C9
SCHEMBL1971079 0.67 CYP2C9 (0.42) TSHRCYP1A2KDM4EALOX15LMNA
SCHEMBL7002092 0.66 TSHR (0.39) TSHRBAZ2BBAZ2AHPGDCA12
Hydrochloric Acid SCHEMBL10419893 0.66 CYP2C9 (0.41) KMT2ACYP1A2KDM4EALOX15LMNA
SCHEMBL4263380 0.64 MEN1 (0.39) TSHRHPGDSMN1; SMN2CA12CA1
SCHEMBL11438318 0.64 TSHR (0.38) TSHRHPGDSMN1; SMN2NPSR1CA12
SCHEMBL19204714 0.63 CYP1A2 (0.38) TSHRHPGDCA12CA1CA2

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-6333330-B1 Pyrazolopyrimidinone CGMP PDE5 inhibitors for the treatment of sexual dysfunction PFIZER INC. 2001-12-25 US disclosed