SCHEMBL6603436

SCHEMBL6603436

Cc1cc2c(cc1N1CC(C)N(C)C(C)C1)N(C(=O)Cc1cccc(C(F)(F)F)c1F)CC2

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 16/20 0.80
HTR1D P28221 15/20 0.80
HTR1A P08908 4/20 0.48
GHSR Q92847 1/20 0.44
P2RX7 Q99572 3/20 0.37
AKT1 P31749 1/20 0.36

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
SCHEMBL6603438 1.00 HTR1B (0.80) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604882 0.92 HTR1B (0.81) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604879 0.92 HTR1B (0.81) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6604234 0.89 HTR1B (1.00) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604237 0.89 HTR1B (1.00) HTR1BHTR1DHTR1AGHSR
SCHEMBL6603902 0.81 HTR1B (0.66) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6603907 0.81 HTR1B (0.66) HTR1BHTR1DHTR1AGHSRP2RX7
SCHEMBL6606319 0.81 HTR1B (0.86) HTR1BHTR1DHTR1AGHSR
SCHEMBL6606314 0.81 HTR1B (0.86) HTR1BHTR1DHTR1AGHSR
SCHEMBL6604091 0.81 HTR1B (0.65) HTR1BHTR1DHTR1AGHSRP2RX7

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