SCHEMBL8553038

SCHEMBL8553038

CCCOc1ccccc1NC(=O)Nc1ccc2scc(C3CCN(C(C)CCC)CC3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 14/20 0.42
DCUN1D1 Q96GG9 14/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
BLM P54132 1/20 0.39
P2RY1 P47900 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL8708863 0.87 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL7481601 0.85 HTR1D (0.48)
SCHEMBL8703840 0.82 UBE2M (0.44) UBE2MDCUN1D1
Phenyl Propionic Acid SCHEMBL8703826 0.81 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8553042 0.80 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8548175 0.79 UBE2M (0.52) UBE2MDCUN1D1
Phenyl Propionic Acid SCHEMBL8552444 0.77 UBE2M (0.46) UBE2MDCUN1D1
SCHEMBL8547528 0.77 UBE2M (0.49) UBE2MDCUN1D1
SCHEMBL8549074 0.76 FAAH (0.39) UBE2MDCUN1D1RAB9ANPC1MEN1
SCHEMBL8552391 0.76 RORC (0.49) UBE2MDCUN1D1

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