SCHEMBL8553336

SCHEMBL8553336

Cc1sc2ccc(NC(=O)C3CCCCCC3)cc2c1CCN(C)Cc1nccs1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KCNB1 Q14721 1/20 0.36
ITK Q08881 1/20 0.36
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
LMNA P02545 1/20 0.36
GBA1 P04062 1/20 0.35
GLA P06280 1/20 0.35
ELANE P08246 1/20 0.35
CYP19A1 P11511 1/20 0.34

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
SCHEMBL8180418 0.85 HTR1F (0.43) SMN1; SMN2TSHRMAPK1RAB9ANPC1
SCHEMBL8553305 0.85 SMN1; SMN2 (0.42) SMN1; SMN2TSHRMAPK1RAB9ANPC1
SCHEMBL6672030 0.74 HTR1F (0.46) SMN1; SMN2TSHRMAPK1RAB9ANPC1
SCHEMBL8548267 0.66 KDM4E (0.41) SMN1; SMN2ALDH1A1KDM4EGAAHTT
SCHEMBL7143778 0.65 HTR1F (0.61) RAB9AALDH1A1KDM4EITKNPSR1
SCHEMBL8191020 0.64 HTR1F (0.42) SMN1; SMN2MAPK1ALDH1A1KDM4EGAA
SCHEMBL7146077 0.64 HTR1F (0.62) SMN1; SMN2RAB9AALDH1A1KDM4EGAA
SCHEMBL8546895 0.62 MEN1 (0.43) SMN1; SMN2MAPK1RAB9ANPC1ALDH1A1
SCHEMBL8180841 0.62 HTR1F (0.44) SMN1; SMN2MAPK1ALDH1A1GAAITK
SCHEMBL7138281 0.62 HTR1F (0.62) SMN1; SMN2ALDH1A1KDM4EGAAITK

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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed