SCHEMBL14175002

SCHEMBL14175002

C[C@H]1CC[C@H](N2CC[C@H](O)C2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ ALOX15 P16050 1/20 0.39
▸ POLB P06746 2/20 0.35
▸ LMNA P02545 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ IRAK4 Q9NWZ3 4/20 0.33
▸ KMT2A Q03164 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 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
SCHEMBL12385846 1.00 KDM4E (0.40) KDM4EALDH1A1ALOX15POLBLMNA
SCHEMBL16362467 1.00 KDM4E (0.40) KDM4EALDH1A1ALOX15POLBLMNA
SCHEMBL1928970 0.89 — —
SCHEMBL25633196 0.89 — —
SCHEMBL17900496 0.84 KDM4E (0.39) KDM4EALDH1A1ALOX15POLBLMNA
SCHEMBL986628 0.79 OPRM1 (0.34) ALDH1A1CYP2C9IRAK4KMT2AMEN1
SCHEMBL897562 0.79 OPRM1 (0.34) ALDH1A1CYP2C9IRAK4KMT2AMEN1
SCHEMBL988738 0.79 DPP4 (0.37) POLBLMNAKMT2AMEN1DPP4
SCHEMBL897563 0.79 OPRM1 (0.34) ALDH1A1CYP2C9IRAK4KMT2AMEN1
SCHEMBL989317 0.79 DPP4 (0.37) POLBLMNAKMT2AMEN1DPP4

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
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 — — US disclosed
US-7384952-B2 Pyrazolopyrimidine compound and a process for preparing the same MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-06-10 — — US disclosed
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