SCHEMBL7821472

SCHEMBL7821472

CCOC(=O)N1CCC(Nc2cc(C)ccn2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 7/20 1.00
▸ NOS1 P29475 6/20 1.00
▸ NOS3 P29474 4/20 1.00
▸ ALDH1A1 P00352 4/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ MAP4K4 O95819 1/20 0.55
▸ LMNA P02545 2/20 0.53
▸ MAPT P10636 3/20 0.52
▸ POLB P06746 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ NR2F2 P24468 1/20 0.51
▸ HTT P42858 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.50
▸ USP2 O75604 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49

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
SCHEMBL21067374 0.88 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL7822522 0.87 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL17303758 0.86 NOS2 (0.76) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL5879617 0.85 NOS2 (1.00) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL15829843 0.85 NOS2 (0.73) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL15834813 0.84 NOS2 (0.73) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL17303813 0.82 NOS2 (0.70) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL9108352 0.82 NOS2 (0.70) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL17303996 0.81 NOS2 (0.69) NOS2NOS1NOS3ALDH1A1KDM4E
SCHEMBL15829981 0.81 NOS2 (0.69) NOS2NOS1NOS3ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 — — US disclosed
EP-1124821-A1 COMPOUNDS AstraZeneca AB (SE) 2001-08-22 — — EP disclosed
WO-2000027842-A1 COMPOUNDS ASTRAZENECA AB (SE) 2000-05-18 — — WO disclosed
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