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Sugi Predict / Compounds / SCHEMBL16166281

SCHEMBL16166281

SCHEMBL16166281

O=C1C[C@]2(C(=O)Nc3cc(Cl)c(Cl)cc32)c2cnn(Cc3ccc(Cl)cn3)c2N1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 1/20 0.35
▸ NT5E P21589 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ GHSR Q92847 3/20 0.31
▸ MCHR1 Q99705 1/20 0.30

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
SCHEMBL16166394 0.93 HTR7 (0.34) AKR1B1NT5ECYP2C19
SCHEMBL16166793 0.93 AKR1B1 (0.33) AKR1B1NT5ECYP2C19
SCHEMBL16166349 0.91 AKR1B1 (0.40) AKR1B1NT5ECYP2C19MCHR1
SCHEMBL16166437 0.91 AKR1B1 (0.38) AKR1B1NT5ECYP2C19GHSRMCHR1
SCHEMBL16175845 0.91 AKR1B1 (0.40) AKR1B1NT5ECYP2C19MCHR1
SCHEMBL16166535 0.88 AKR1B1 (0.35) AKR1B1GHSR
SCHEMBL16166462 0.88 AKR1B1 (0.37) AKR1B1
SCHEMBL16175853 0.86 AKR1B1 (0.34) AKR1B1MCHR1
SCHEMBL16175842 0.86 AKR1B1 (0.36) AKR1B1
SCHEMBL16175839 0.82 AKR1B1 (0.36) AKR1B1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 — — WO disclosed
WO-2014167528-A1 SPIROPYRAZOLOPYRIDINE DERIVATIVES AND USES THEREOF FOR THE TREATMENT OF VIRAL INFECTIONS NOVARTIS AG (CH) 2014-10-16 — — WO disclosed