SCHEMBL3626705

SCHEMBL3626705

NC(=O)c1[c]cn(-c2ccccc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.37
MAPK14 Q16539 1/20 0.35
ADORA1 P30542 1/20 0.35
RPS6KB1 P23443 1/20 0.35
MAPT P10636 1/20 0.34
MGLL Q99685 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ADORA3 P0DMS8 2/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
NR3C2 P08235 1/20 0.33
KCNN4 O15554 1/20 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
SCHEMBL15048583 0.73 ALKBH2 (0.46) RPS6KB1SMN1; SMN2TSHRMAPK1CYP1A2
SCHEMBL15520764 0.72 ALDH1A1 (0.48) MAPTMEN1KMT2AKDM4E
SCHEMBL1906385 0.72 ADORA1 (0.42) NOTUMADORA1MGLLMEN1KMT2A
SCHEMBL3662997 0.72 PARP1 (0.32)
SCHEMBL15048515 0.72 SCN9A (0.43) NOTUMMAPK14ADORA1RPS6KB1SMN1; SMN2
SCHEMBL30398923 0.68 NOTUM (0.55) NOTUMMGLLSMN1; SMN2USP2MAPK1
SCHEMBL27835961 0.68 ALKBH2 (0.45) NOTUMMAPK14MAPT
SCHEMBL1803333 0.66 ALDH1A1 (0.39) NOTUMADORA1KMT2ASMN1; SMN2ADORA3
SCHEMBL14699373 0.66 ADORA2A (0.47) ADORA1MEN1KMT2AADORA3USP2
SCHEMBL1718132 0.65 PARP1 (0.48) KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP claimed
WO-2010108052-A2 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS H. LUNDBECK A/S (DK) 2010-09-23 WO claimed
EP-2408767-B1 AMIDE DERIVATIVES AS NEUROPEPTIDE Y5 RECEPTOR LIGANDS LUNDBECK & CO AS H (DK) 2013-07-10 EP disclosed