SCHEMBL31208014

SCHEMBL31208014

COc1nc(C2CCN(C(=O)OC(C)(C)C)C2)cc2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4B Q07343 1/20 0.46
▸ KDM4E B2RXH2 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ TRPV3 Q8NET8 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GPR119 Q8TDV5 2/20 0.41
▸ CRHBP P24387 2/20 0.41
▸ CRHR2 Q13324 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EHMT2 Q96KQ7 1/20 0.40

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
SCHEMBL25432160 1.00 PDE4B (0.46) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL25431491 0.81 KDM4E (0.45) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL30496025 0.78 TRPV3 (0.50) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL25366217 0.78 TRPV3 (0.52) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL31208026 0.78 TRPV3 (0.52) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL25361679 0.78 TRPV3 (0.50) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL25361414 0.78 TRPV3 (0.50) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL26025833 0.78 TRPV3 (0.52) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL31208008 0.77 PDE4B (0.46) PDE4BKDM4EALDH1A1HPGDNPSR1
SCHEMBL25430422 0.77 PDE4B (0.46) PDE4BKDM4EALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118973578-A Pharmaceutical compounds 杜克街生物有限公司 2024-11-15 — — CN disclosed
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