SCHEMBL27698658

SCHEMBL27698658

O=C(OC(c1ccccc1)[N+](=O)[O-])N1CCCC1CO

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ POLB P06746 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ SPHK2 Q9NRA0 1/20 0.41
▸ CHRM2 P08172 3/20 0.39
▸ CHRM4 P08173 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KCNK3 O14649 1/20 0.37
▸ TACR1 P25103 2/20 0.37
▸ RIPK1 Q13546 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ DPP4 P27487 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36

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
SCHEMBL4092297 0.76 MGLL (0.44) MEN1KMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL9354495 0.74 SPHK2 (0.50) MEN1KMT2APOLBL3MBTL1SPHK2
SCHEMBL9358849 0.74 SPHK2 (0.50) MEN1KMT2APOLBL3MBTL1SPHK2
SCHEMBL9354505 0.74 SPHK2 (0.50) MEN1KMT2APOLBL3MBTL1SPHK2
SCHEMBL8425723 0.74 MGLL (0.33) CHRM2CHRM4CHRM1CHRM3SMN1; SMN2
SCHEMBL4565485 0.72 HTT (0.43) SMN1; SMN2DPP4
SCHEMBL5267939 0.71 SPHK2 (0.58) KMT2AL3MBTL1SPHK2SMN1; SMN2
SCHEMBL4602602 0.71 SPHK2 (0.58) KMT2AL3MBTL1SPHK2SMN1; SMN2
SCHEMBL809494 0.71 SPHK2 (0.58) KMT2AL3MBTL1SPHK2SMN1; SMN2
SCHEMBL9354526 0.70 SPHK2 (0.52) KMT2AL3MBTL1SPHK2SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101137621-A Pyrrolidine derivative intermediate, preparation method and application thereof CHENGDU DII AO JIUHONG PHARMAC (CN) 2008-03-05 — — CN disclosed
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