SCHEMBL8947277

SCHEMBL8947277

COC(=O)Cn1nnnc1-c1cccc(C)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.50
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
TSHR P16473 2/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
SRC P12931 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.44
HPGD P15428 2/20 0.44
HSD11B1 P28845 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NTRK1 P04629 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL8947167 0.88 HPGD (0.50) TRPV1ALDH1A1TSHRKMT2AMEN1
SCHEMBL8947295 0.88 TSHR (0.61) TRPV1ALDH1A1TSHRKMT2ACYP2C19
SCHEMBL8947195 0.87 TRPV1 (0.44) TRPV1ALDH1A1TSHRKMT2ACYP1A2
SCHEMBL5966689 0.87 TRPV1 (0.59) TRPV1ALDH1A1TSHRKMT2ACYP1A2
SCHEMBL8947317 0.86 ALDH1A1 (0.57) TRPV1ALDH1A1TSHRKMT2ACYP1A2
SCHEMBL5785099 0.85 EGLN1 (0.45) TRPV1ALDH1A1TSHRKMT2AMEN1
SCHEMBL8947234 0.85 POLB (0.60) TRPV1ALDH1A1L3MBTL1TSHRKMT2A
SCHEMBL8947310 0.85 TRPV1 (0.63) TRPV1ALDH1A1TSHRKMT2ACYP1A2
SCHEMBL8947240 0.85 ALDH1A1 (0.54) TRPV1ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL8947275 0.85 ALDH1A1 (0.61) ALDH1A1L3MBTL1KMT2AMEN1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35281-E ANTIDIABETIC AGENTS WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1996-06-18 US disclosed
EP-0388967-B1 Aldose reductase inhibitor WAKAMOTO PHARMA CO LTD (JP) 1995-06-28 EP disclosed
US-5055481-A Alleviate diabetic complications WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 1991-10-08 US disclosed
EP-0388967-A1 Aldose reductase inhibitor Wakamoto Pharmaceutical Co., Ltd. (JP) 1990-09-26 EP disclosed