SCHEMBL6607380

SCHEMBL6607380

COc1cc2c(cc1N1CC(C)NC(C)C1)N(C(=O)Cc1cccc(C(F)(F)F)c1Cl)CC2

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 18/20 0.69
HTR1D P28221 17/20 0.69
GHSR Q92847 3/20 0.51
HTR1A P08908 4/20 0.49

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
SCHEMBL6607382 1.00 HTR1B (0.69) HTR1BHTR1DGHSRHTR1A
SCHEMBL6603447 0.91 HTR1B (0.82) HTR1BHTR1DGHSRHTR1A
SCHEMBL6603446 0.91 HTR1B (0.82) HTR1BHTR1DGHSRHTR1A
SCHEMBL6604831 0.90 HTR1B (0.84) HTR1BHTR1DGHSRHTR1A
SCHEMBL6604825 0.90 HTR1B (0.84) HTR1BHTR1DGHSRHTR1A
SCHEMBL6605279 0.90 HTR1B (0.69) HTR1BHTR1DGHSRHTR1A
SCHEMBL6605304 0.90 HTR1B (0.69) HTR1BHTR1DGHSRHTR1A
SCHEMBL6604757 0.86 HTR1B (0.81) HTR1BHTR1DGHSRHTR1A
SCHEMBL6604750 0.86 HTR1B (0.81) HTR1BHTR1DGHSRHTR1A
SCHEMBL6606319 0.82 HTR1B (0.86) HTR1BHTR1DGHSRHTR1A

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
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP claimed
WO-2020183011-A1 HTR1D INHIBITORS AND USES THEREOF IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2020-09-17 WO disclosed
EP-1216239-B1 PIPERAZINE DERIVATIVES AS 5-HT1B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-02-11 EP disclosed