SCHEMBL8549636

SCHEMBL8549636

Cc1oc2ccc(NC(=O)c3ccncc3)cc2c1CCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 2/20 0.51
ALDH1A1 P00352 4/20 0.50
LMNA P02545 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
HPGD P15428 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.43
MAPK1 P28482 2/20 0.43
TSHR P16473 1/20 0.43
HTR1D P28221 2/20 0.43
HTR1B P28222 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HTR1A P08908 1/20 0.43

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
SCHEMBL8547488 0.87 HTR1F (0.53) HTR1FLMNASMN1; SMN2HSD17B10L3MBTL1
SCHEMBL8552580 0.87 HTR1F (0.65) HTR1FALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8549838 0.83 ALDH1A1 (0.47) HTR1FALDH1A1SMN1; SMN2KDM4EHSD17B10
SCHEMBL8552436 0.81 KMT2A (0.49) ALDH1A1LMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL8548295 0.80 RAB9A (0.51) ALDH1A1LMNASMN1; SMN2KDM4EHSD17B10
SCHEMBL8552089 0.78 HTR1F (0.52) HTR1FSMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL8549211 0.78 HTR1F (0.49) HTR1FALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL8551309 0.78 RAB9A (0.48) HTR1FALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL8692074 0.78 HPGD (0.45) HTR1FALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8709033 0.77 HTR1F (0.48) HTR1FL3MBTL1MEN1KMT2AMAPT

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed