SCHEMBL9281383

SCHEMBL9281383

CCC1CC(C(=O)O)CCN1C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NEK2 P51955 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ LMNA P02545 1/20 0.35
▸ RORC P51449 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ S1PR4 O95977 1/20 0.32
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA5 P30532 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32

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
SCHEMBL12616689 0.81 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1S1PR4S1PR1S1PR3
SCHEMBL28277542 0.80 S1PR5 (0.44) SMN1; SMN2ALDH1A1S1PR4S1PR1S1PR3
SCHEMBL28278967 0.80 S1PR5 (0.44) SMN1; SMN2ALDH1A1S1PR4S1PR1S1PR3
SCHEMBL11155986 0.80 NEK2 (0.36) SMN1; SMN2NEK2ALDH1A1LMNARORC
SCHEMBL23467070 0.80 MAPT (0.50) SMN1; SMN2ALDH1A1KDM4ENPSR1
SCHEMBL10566816 0.79 ATM (0.36) SMN1; SMN2NEK2ALDH1A1LMNARORC
SCHEMBL1119544 0.77 NEK2 (0.35) SMN1; SMN2NEK2ALDH1A1LMNARORC
SCHEMBL20300584 0.76 TP53 (0.39) SMN1; SMN2NEK2ALDH1A1LMNARORC
SCHEMBL460719 0.76 SMN1; SMN2 (0.44) SMN1; SMN2NEK2ALDH1A1S1PR4S1PR1
SCHEMBL30226530 0.76 SMN1; SMN2 (0.35) SMN1; SMN2NEK2ALDH1A1LMNARORC

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-5461050-A Antiallergens JANSSEN PHARMACEUTICA N.V. (BE) 1995-10-24 — — US disclosed
EP-0326526-A1 Aminoketones of substituted dibenzo- and pyridobenzo-azepinones and pharmaceutical compositions ISTITUTO DE ANGELI S.p.A. (IT) 1989-08-02 — — EP disclosed
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