SCHEMBL8947336

SCHEMBL8947336

COC(=O)Cn1nnnc1-c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.56
CYP1A2 P05177 1/20 0.50
GAA P10253 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD11B1 P28845 3/20 0.49
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
TSHR P16473 1/20 0.48
CNR2 P34972 1/20 0.46
MAPT P10636 2/20 0.45
KCNN4 O15554 1/20 0.44
POLB P06746 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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 0.90 TRPV1 (0.59) TRPV1CYP1A2GAACYP2C19HSD11B1
SCHEMBL8947310 0.88 TRPV1 (0.63) TRPV1CYP1A2GAACYP2C19HSD11B1
SCHEMBL8947250 0.88 TRPV1 (0.48) TRPV1CYP1A2GAACYP2C19HSD11B1
SCHEMBL8947264 0.85 P2RX7 (0.49) TRPV1HSD11B1ALDH1A1SMN1; SMN2HPGD
SCHEMBL8947097 0.84 ALDH1A1 (0.60) HSD11B1ALDH1A1HPGDHTTMAPT
SCHEMBL8947317 0.83 ALDH1A1 (0.57) TRPV1CYP1A2GAACYP2C19HSD11B1
SCHEMBL8947277 0.81 TRPV1 (0.50) TRPV1CYP1A2GAACYP2C19HSD11B1
SCHEMBL8947215 0.81 MGLL (0.56) TRPV1CYP1A2GAACYP2C19HSD11B1
SCHEMBL8947240 0.79 ALDH1A1 (0.54) TRPV1CYP1A2GAACYP2C19HSD11B1
SCHEMBL8947167 0.78 HPGD (0.50) TRPV1CYP1A2GAACYP2C19HSD11B1

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