SCHEMBL4779495

SCHEMBL4779495

O=C(c1cccc(O)c1F)C1CCCNC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.42
SLC6A11 P48066 1/20 0.42
TSHR P16473 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC6A13 Q9NSD5 1/20 0.42
MGLL Q99685 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
PRKCB P05771 6/20 0.39
PRKCA P17252 6/20 0.39
PRKCE Q02156 6/20 0.39
PRKCG P05129 4/20 0.39
PRKCH P24723 4/20 0.39
PRKCD Q05655 4/20 0.39
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39

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
SCHEMBL4755192 0.86 SLC6A2 (0.49) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL9017801 0.78 SLC6A2 (0.55) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL13631069 0.76 KMT2A (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL26085824 0.75 KDM4E (0.49) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL12023170 0.73 CDK5 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL3957507 0.73 CDK5 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5476502 0.72 CDK5 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL5476506 0.72 CDK5 (0.47) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL5593543 0.72 EED (0.52) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL2323451 0.72 HSD11B1 (0.49) SLC6A1SLC6A11TSHRLMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed