SCHEMBL8552391

SCHEMBL8552391

CCCC(C)N1CCC(c2csc3ccc(NC(=O)c4cccc(C#N)c4)cc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.49
ACKR3 P25106 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1B P28222 1/20 0.41
HTR1F P30939 1/20 0.41
UBE2M P61081 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.40
CCR2 P41597 1/20 0.40

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
SCHEMBL8552401 0.85 RORC (0.51) RORCACKR3L3MBTL1HTR1AHTR1B
SCHEMBL8552426 0.84 RORC (0.49) RORCACKR3L3MBTL1HTR1AHTR1B
SCHEMBL7483530 0.84 RORC (0.68) RORCHTR1AHTR1BHTR1F
SCHEMBL8708863 0.81 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8703840 0.76 UBE2M (0.44) UBE2MDCUN1D1
Phenyl Propionic Acid SCHEMBL8552444 0.76 UBE2M (0.46) UBE2MDCUN1D1
SCHEMBL8553042 0.76 UBE2M (0.47) UBE2MDCUN1D1
SCHEMBL8553038 0.76 UBE2M (0.42) UBE2MDCUN1D1
SCHEMBL8550202 0.76 UBE2M (0.40) UBE2MDCUN1D1
SCHEMBL8547821 0.76 HTR1D (0.44) RORCHTR1AHTR1BHTR1F

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