SCHEMBL2801202

SCHEMBL2801202

Cc1cccc(COCC(N)C(=O)N2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
LMNA P02545 5/20 0.46
ALDH1A1 P00352 4/20 0.46
TACR1 P25103 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CHRM1 P11229 2/20 0.43
UGCG Q16739 1/20 0.42

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
SCHEMBL2801198 1.00 MAPT (0.46) MAPTLMNAALDH1A1TACR1SMN1; SMN2
SCHEMBL2800375 0.87 TACR1 (0.56) TACR1HSD17B10CHRM1UGCG
SCHEMBL2800372 0.87 TACR1 (0.56) TACR1HSD17B10CHRM1UGCG
SCHEMBL13198394 0.86 MAPT (0.42) MAPTLMNAALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL3791647 0.79 UGCG (0.50) LMNATACR1SMN1; SMN2GAANPSR1
Hydrochloric Acid SCHEMBL3791640 0.79 UGCG (0.50) LMNATACR1SMN1; SMN2GAANPSR1
SCHEMBL2545138 0.76 TSHR (0.57) MAPTALDH1A1TACR1SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL2545139 0.75 TSHR (0.56) MAPTLMNAALDH1A1TACR1SMN1; SMN2
Hydrochloric Acid SCHEMBL2545135 0.75 TSHR (0.56) MAPTLMNAALDH1A1TACR1SMN1; SMN2
SCHEMBL2032174 0.73 GRM5 (0.62) MAPTLMNAALDH1A1TACR1SMN1; 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
WO-2010091104-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS EXELIXIS, INC. (US) 2010-08-12 WO disclosed