SCHEMBL8947250

SCHEMBL8947250

COC(=O)Cn1nnnc1-c1ccccc1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.48
HSD11B1 P28845 1/20 0.47
P2RX7 Q99572 2/20 0.46
MAPT P10636 1/20 0.46
TP53 P04637 1/20 0.44
KCNN4 O15554 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
TSHR P16473 1/20 0.40

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
SCHEMBL8947336 0.88 TRPV1 (0.56) TRPV1HSD11B1MAPTKCNN4CYP1A2
SCHEMBL8947264 0.86 P2RX7 (0.49) TRPV1HSD11B1P2RX7MAPTTP53
SCHEMBL8947245 0.84 ALDH1A1 (0.55) HSD11B1P2RX7MAPTTP53ALDH1A1
SCHEMBL5966689 0.83 TRPV1 (0.59) TRPV1HSD11B1MAPTCYP1A2GAA
SCHEMBL8947317 0.81 ALDH1A1 (0.57) TRPV1HSD11B1CYP1A2GAACYP2C19
SCHEMBL8947310 0.81 TRPV1 (0.63) TRPV1HSD11B1MAPTCYP1A2GAA
SCHEMBL8947240 0.77 ALDH1A1 (0.54) TRPV1HSD11B1CYP1A2GAACYP2C19
SCHEMBL8947122 0.77 ALDH1A1 (0.47) TRPV1HSD11B1MAPTTP53CYP1A2
SCHEMBL8947277 0.77 TRPV1 (0.50) TRPV1HSD11B1CYP1A2GAACYP2C19
SCHEMBL8947215 0.76 MGLL (0.56) TRPV1HSD11B1CYP1A2GAACYP2C19

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