SCHEMBL8947310

SCHEMBL8947310

COC(=O)Cn1nnnc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.63
ALDH1A1 P00352 3/20 0.55
HPGD P15428 2/20 0.55
GAA P10253 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
CNR2 P34972 1/20 0.53
HSD11B1 P28845 2/20 0.53
HTT P42858 2/20 0.51
POLB P06746 1/20 0.51
HDAC6 Q9UBN7 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.49
ERCC5 P28715 1/20 0.46
FEN1 P39748 1/20 0.46
MAPT P10636 1/20 0.44

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
SCHEMBL5966689 0.97 TRPV1 (0.59) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947317 0.93 ALDH1A1 (0.57) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947215 0.90 MGLL (0.56) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947240 0.89 ALDH1A1 (0.54) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947336 0.88 TRPV1 (0.56) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947140 0.86 HSD11B1 (0.59) TRPV1ALDH1A1HPGDHSD11B1HTT
SCHEMBL8947149 0.86 ALDH1A1 (0.51) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947311 0.86 ALDH1A1 (0.57) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947278 0.86 ALDH1A1 (0.70) TRPV1ALDH1A1HPGDGAACYP1A2
SCHEMBL8947152 0.85 ALDH1A1 (0.50) TRPV1ALDH1A1HPGDGAACYP1A2

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