SCHEMBL4711940

SCHEMBL4711940

O=C(O)N1CCN(Cc2cccc(CCO)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
FAAH O00519 7/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 3/20 0.49
ATM Q13315 1/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HIF1A Q16665 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
SCHEMBL4828824 0.88 LMNA (0.56) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2234600 0.84 HRH3 (0.53) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL29977618 0.84 PRMT6 (0.64) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2925701 0.82 ALDH1A1 (0.59) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL2850013 0.81 ALDH1A1 (0.70) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL4838001 0.81 CYP2D6 (0.73) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3093924 0.81 FAAH (0.70) SMN1; SMN2KMT2AMEN1TSHRFAAH
SCHEMBL2930424 0.81 SIGMAR1 (0.73) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL6865542 0.81 ALDH1A1 (0.72) LMNASMN1; SMN2KMT2AMEN1TSHR
SCHEMBL3948130 0.81 LMNA (0.55) LMNASMN1; SMN2KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1959963-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
EP-1959947-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Inc. (US) 2008-08-27 EP disclosed
WO-2007089336-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-08-09 WO disclosed
WO-2007075377-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2007-07-05 WO disclosed