SCHEMBL7419168

SCHEMBL7419168

O=C(O)c1ccc2cnn(C3CCCC3)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 5/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HTR1A P08908 1/20 0.48
▸ HTR1B P28222 1/20 0.48
▸ HTR1F P30939 1/20 0.48
▸ KHK P50053 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE9A O76083 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ TNKS O95271 1/20 0.40
▸ TNKS2 Q9H2K2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PDE7A Q13946 1/20 0.39

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
SCHEMBL30040860 0.94 HCAR3 (0.54) HCAR3L3MBTL1HSD17B10GAAHTR1A
SCHEMBL31403532 0.86 HCAR3 (0.59) HCAR3L3MBTL1HSD17B10GAAHTR1A
SCHEMBL7971124 0.85 ALDH1A1 (0.50) HCAR3L3MBTL1HSD17B10HTR1AHTR1B
SCHEMBL29491524 0.84 KHK (0.43) HCAR3L3MBTL1HSD17B10GAAHTR1A
SCHEMBL18399007 0.84 RXRA (0.56) HCAR3L3MBTL1HSD17B10GAAHTR1A
SCHEMBL30151185 0.84 RXRA (0.56) HCAR3L3MBTL1HSD17B10GAAHTR1A
SCHEMBL18554576 0.82 HCAR3 (0.57) HCAR3L3MBTL1HSD17B10GAAHTR1A
SCHEMBL3605908 0.80 HTR1A (0.44) HCAR3HTR1AHTR1BHTR1FALDH1A1
SCHEMBL3605904 0.79 HTR1A (0.46) HTR1AHTR1BHTR1FKHKALDH1A1
SCHEMBL30040346 0.79 HTR1A (0.50) HSD17B10GAAHTR1AHTR1BHTR1F

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-6262040-B1 Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the production of tumor necrosis factor (TNF) PFIZER INC 2001-07-17 — — US disclosed
CN-1234031-A Indazole derivatives and their use as inhibitors of phosphodiesterase (PDE) type IV and the prodn. of tumor necrosis factor (TNF) PFIZER (US) 1999-11-03 — — CN disclosed
EP-0931075-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1999-07-28 — — EP disclosed
WO-1998009961-A1 INDAZOLE DERIVATIVES AND THEIR USE AS INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV AND THE PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) PFIZER INC. (US) 1998-03-12 — — WO disclosed
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