SCHEMBL13344709

SCHEMBL13344709

CN1CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.57
▸ HTT P42858 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ CYP2C19 P33261 1/20 0.55
▸ CHKA P35790 1/20 0.54
▸ NAMPT P43490 1/20 0.52
▸ DDB1 Q16531 1/20 0.51
▸ CRBN Q96SW2 1/20 0.51
▸ GPR119 Q8TDV5 6/20 0.50
▸ VEGFA P15692 1/20 0.50
▸ EGLN1 Q9GZT9 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ LSS P48449 1/20 0.49
▸ PPARD Q03181 1/20 0.48
▸ PPARA Q07869 1/20 0.48

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
SCHEMBL5569584 0.89 GPR119 (0.58) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL18210853 0.88 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL1722245 0.88 SMN1; SMN2 (0.57) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL13369337 0.85 SMN1; SMN2 (0.54) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL5573222 0.83 MAPT (0.76) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL21659284 0.82 MAPT (0.53) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL25218845 0.82 VEGFA (0.54) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL3807661 0.82 MAPT (0.64) SMN1; SMN2HTTNPSR1MAPTLMNA
SCHEMBL2858333 0.82 TP53 (0.58) SMN1; SMN2MAPTLMNAALDH1A1MEN1
SCHEMBL5536182 0.82 VEGFA (0.68) SMN1; SMN2HTTNPSR1MAPTMEN1

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
US-7709492-B2 Pyrazolo-[4,3-e]-1,2,4-triazolo-[1,5-c]-pyrimidine adenosine A2a receptor antagonists SCHERING CORPORATION (US) 2010-05-04 — — US disclosed
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