SCHEMBL8549783

SCHEMBL8549783

Cc1oc2ccc(NC(=O)c3cccc(I)c3)cc2c1CCN(C)Cc1cnco1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.37
CA9 Q16790 1/20 0.35
KDR P35968 1/20 0.34
IMPDH2 P12268 3/20 0.34
MAPT P10636 3/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTR1F P30939 1/20 0.34
NAMPT P43490 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 1/20 0.33
ROCK2 O75116 2/20 0.33
MMP12 P39900 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
SCHEMBL8551467 0.85 GRM5 (0.36) GRM5KDRIMPDH2MAPTNPC1
SCHEMBL8191280 0.85 HTR1F (0.50) GRM5MAPTPOLBALDH1A1HPGD
SCHEMBL5906312 0.85 HTR1F (0.51) GRM5NPC1RAB9AKDM4EALDH1A1
SCHEMBL8549636 0.72 HTR1F (0.51) CA9MAPTPOLBRAB9AKDM4E
SCHEMBL8548549 0.71 HTR1F (0.50) KDRMAPTPOLBRAB9AHTR1F
SCHEMBL8549366 0.69 TP53 (0.41) MAPTNPC1RAB9AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL8551686 0.69 TP53 (0.40) MAPTNPC1RAB9AKDM4EALDH1A1
Cadaverine Tartrate SCHEMBL8550421 0.68 MAP1LC3B (0.41) MAPT
SCHEMBL8552580 0.68 HTR1F (0.65) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL8547488 0.68 HTR1F (0.53) CA9MAPTPOLBNPC1RAB9A

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
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed