SCHEMBL8947374

SCHEMBL8947374

O=C(O)CCCCn1nnnc1-c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.66
ALDH1A1 P00352 2/20 0.57
POLB P06746 1/20 0.57
HTT P42858 1/20 0.57
P2RX7 Q99572 1/20 0.53
PTGIR P43119 4/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HPGD P15428 1/20 0.50
SLC6A2 P23975 1/20 0.49
SLC6A4 P31645 1/20 0.49
SLC6A3 Q01959 1/20 0.49
GABRP O00591 3/20 0.47
GABRD O14764 3/20 0.47
GABRA1 P14867 3/20 0.47
GABRB1 P18505 3/20 0.47
GABRG2 P18507 3/20 0.47
GABRB3 P28472 3/20 0.47
GABRA5 P31644 3/20 0.47
GABRA3 P34903 3/20 0.47
GABRA2 P47869 3/20 0.47

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
SCHEMBL8947319 0.95 HSD11B1 (0.68) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL8947202 0.89 HSD11B1 (0.76) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL8947132 0.84 HSD11B1 (0.57) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL10635294 0.83 ALDH1A1 (0.62) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL10628893 0.82 ALDH1A1 (0.60) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL10635559 0.82 ALDH1A1 (0.60) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL10972067 0.81 HSD11B1 (0.60) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL408080 0.81 HSD11B1 (0.72) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL8653064 0.80 ALDH1A1 (0.62) HSD11B1ALDH1A1POLBHTTP2RX7
SCHEMBL4407364 0.80 ALDH1A1 (0.62) HSD11B1ALDH1A1POLBHTTP2RX7

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