SCHEMBL8552401

SCHEMBL8552401

CCCCCN1CCC(c2csc3ccc(NC(=O)c4cccc(C#N)c4)cc23)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.51
DCUN1D1 Q96GG9 1/20 0.45
DRD2 P14416 2/20 0.43
SLC6A4 P31645 1/20 0.43
HTR1D P28221 6/20 0.43
HTR1B P28222 6/20 0.43
CHRM2 P08172 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ACKR3 P25106 1/20 0.43
HTR1A P08908 1/20 0.43
HTR1F P30939 1/20 0.43
ADORA2A P29274 1/20 0.43
ROCK2 O75116 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL8590783 0.88 DRD2 (0.46) RORCDRD2SLC6A4HTR1DHTR1B
SCHEMBL8552391 0.85 RORC (0.49) RORCDCUN1D1HTR1BL3MBTL1ACKR3
SCHEMBL8552432 0.84 RORC (0.51) RORCDCUN1D1DRD2SLC6A4HTR1D
SCHEMBL7483539 0.84 RORC (0.69) RORCDRD2HTR1DHTR1BCHRM2
SCHEMBL8550766 0.84 HTR1D (0.50) DRD2HTR1DHTR1BCHRM2
SCHEMBL8548938 0.83 HTR1D (0.63) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8549540 0.83 HTR1D (0.48) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8548076 0.82 DRD2 (0.47) RORCDCUN1D1DRD2SLC6A4HTR1D
SCHEMBL8547499 0.82 HTR1D (0.46) DRD2SLC6A4HTR1DHTR1BCHRM2
SCHEMBL8548023 0.82 DRD2 (0.50) DCUN1D1DRD2SLC6A4HTR1DHTR1B

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