SCHEMBL8551309

SCHEMBL8551309

Cc1oc2ccc(NC(=O)C3CC3)cc2c1CCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GBA1 P04062 2/20 0.43
MCHR1 Q99705 1/20 0.43
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HTR1F P30939 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NAMPT P43490 1/20 0.40
MAPK14 Q16539 1/20 0.39

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
SCHEMBL8549838 0.85 ALDH1A1 (0.47) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8546895 0.80 MEN1 (0.43) RAB9AMEN1KMT2AGAASMN1; SMN2
SCHEMBL8692074 0.80 HPGD (0.45) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8549636 0.78 HTR1F (0.51) RAB9AMEN1KMT2AGAASMN1; SMN2
SCHEMBL8552580 0.78 HTR1F (0.65) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL8547488 0.78 HTR1F (0.53) RAB9AMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL7144819 0.78 HTR1F (0.64) LMNAKDM4EALDH1A1GBA1MCHR1
SCHEMBL8553305 0.78 SMN1; SMN2 (0.42) RAB9AGAASMN1; SMN2NPC1KDM4E
SCHEMBL8548295 0.78 RAB9A (0.51) RAB9AMEN1KMT2AGAASMN1; SMN2
SCHEMBL8552436 0.77 KMT2A (0.49) RAB9AMEN1KMT2AGAASMN1; SMN2

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
US-5792763-A MIGRAINES; ANALGESICS; DISEASES LINKED TO DECREASED NEUROTRANMISSION OF SEROTONIN IN MAMMALS ELI LILLY AND COMPANY (US) 1998-08-11 US disclosed
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