SCHEMBL16637490

SCHEMBL16637490

O=C(c1ccc(N2CC3(CCC2=O)CC3)cc1)N1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.67
ALDH1A1 P00352 7/20 0.67
TDP1 Q9NUW8 1/20 0.48
GAA P10253 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TSHR P16473 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 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
SCHEMBL16644311 0.80 ALDH1A1 (0.59) HPGDALDH1A1
SCHEMBL16637181 0.79 HPGD (0.52) HPGDALDH1A1TDP1GAAMEN1
SCHEMBL16637329 0.76 OPRM1 (0.41) HPGDALDH1A1GAASMN1; SMN2
SCHEMBL27479149 0.72 HPGD (1.00) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL7132525 0.72 HPGD (1.00) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL16361765 0.72 TP53 (0.44) GAATSHRLMNAHTTSMN1; SMN2
SCHEMBL10721733 0.71 HPGD (0.95) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL1360270 0.70 HPGD (0.92) HPGDALDH1A1MEN1KMT2ATSHR
SCHEMBL1358720 0.70 HPGD (0.65) HPGDALDH1A1TDP1GAAMEN1
SCHEMBL16637299 0.69 POLB (0.45) TSHRSMN1; SMN2

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
CN-105324382-B Spirocyclic derivatives, its preparation method and the application of the ketone of 4,5 dihydro-pyrazolos [3,4 c] pyridine 2 四川海思科制药有限公司 2017-11-10 CN disclosed
CN-105324382-A 4,5-dihydro-pyrazolo[3,4-c]pyridin-2-one spiro derivative, preparation method and use thereof SICHUAN HAISCO PHARMACEUTICAL CO LTD 2016-02-10 CN disclosed
WO-2015051713-A1 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRIDIN-2-ONE SPIRO DERIVATIVE, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2015-04-16 WO disclosed
WO-2015051713-A1 4,5-DIHYDRO-PYRAZOLO[3,4-C]PYRIDIN-2-ONE SPIRO DERIVATIVE, PREPARATION METHOD AND USE THEREOF 四川海思科制药有限公司 2015-04-16 WO disclosed