SCHEMBL550117

SCHEMBL550117

O=C1N([C@H]2CC[C@H](O)CC2)CCC12CCCN(c1ccccc1F)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 3/20 0.43
HSD11B1 P28845 1/20 0.39
NOTUM Q6P988 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX15 P16050 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL2699529 1.00 SCN9A (0.43) SCN9AHSD11B1NOTUMLMNASMN1; SMN2
SCHEMBL2699011 1.00 SCN9A (0.43) SCN9AHSD11B1NOTUMLMNASMN1; SMN2
SCHEMBL550118 1.00 SCN9A (0.43) SCN9AHSD11B1NOTUMLMNASMN1; SMN2
SCHEMBL17082160 1.00 SCN9A (0.43) SCN9AHSD11B1NOTUMLMNASMN1; SMN2
SCHEMBL549672 1.00 SCN9A (0.43) SCN9AHSD11B1NOTUMLMNASMN1; SMN2
SCHEMBL4570199 1.00 SCN9A (0.43) SCN9AHSD11B1NOTUMLMNASMN1; SMN2
SCHEMBL549671 1.00 SCN9A (0.43) SCN9AHSD11B1NOTUMLMNASMN1; SMN2
SCHEMBL550605 0.91 SCN9A (0.40) SCN9AHSD11B1NOTUMDRD2
SCHEMBL17082152 0.91 SCN9A (0.40) SCN9AHSD11B1NOTUMDRD2
SCHEMBL2697981 0.91 SCN9A (0.40) SCN9AHSD11B1NOTUMDRD2

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-8110581-B2 Lactam compounds and their use as pharmaceuticals INCYTE CORPORATION (US) 2012-02-07 US claimed