SCHEMBL6977859

SCHEMBL6977859

O=C1c2ccc(-c3cccc(C(F)(F)F)c3)cc2CC1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.54
PARP11 Q9NR21 1/20 0.54
HRH3 Q9Y5N1 1/20 0.46
ASIC3 Q9UHC3 1/20 0.45
KDM1A O60341 1/20 0.44
PGR P06401 1/20 0.42
S1PR5 Q9H228 1/20 0.42
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
NOTUM Q6P988 1/20 0.40
KIF11 P52732 1/20 0.40
TDP2 O95551 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAOB P27338 2/20 0.39
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL6980637 0.89 TDP2 (0.42) PARP10PARP11HRH3ASIC3HTR1A
SCHEMBL11855191 0.84 TDP2 (0.46) PARP10PARP11NOTUMTDP2
SCHEMBL6206085 0.81 TDP2 (0.47) PARP10PARP11HRH3KDM1ANOTUM
SCHEMBL6190707 0.79 TDP2 (0.51) PARP10PARP11PGRNOTUMTDP2
SCHEMBL6253409 0.76 TDP2 (0.49) PARP10HRH3KIF11TDP2
SCHEMBL6969308 0.74 PARP10 (0.67) PARP10PARP11HRH3ASIC3KDM1A
SCHEMBL6979410 0.74 PARP10 (0.55) PARP10PARP11HRH3ASIC3KDM1A
SCHEMBL4418024 0.72 PARP10 (0.64) PARP10PARP11HRH3ASIC3KDM1A
SCHEMBL6977763 0.72 SLC6A11 (0.46) PGR
SCHEMBL30689245 0.71 PARP10 (0.55) PARP10PARP11HRH3ASIC3KDM1A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119557-B1 INDENO-, NAPHTO- AND BENZOCYCLOHEPTA DIHYDROTHIAZOLE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS ANORECTIC MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2003-12-03 EP disclosed
US-6291486-B1 PREVENTING OBESITY; ANORECTICS. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-18 US disclosed
EP-1119557-A1 INDENO-, NAPHTO- AND BENZOCYCLOHEPTA DIHYDROTHIAZOLE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS ANORECTIC MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-08-01 EP disclosed
US-6090833-A EATING DISORDERS; ANTIDIABETIC AGENT AVENTIS PHARMA DEUTSCHAND GMBH (DE) 2000-07-18 US disclosed
WO-2000018749-A1 INDENO-, NAPHTO- AND BENZOCYCLOHEPTA DIHYDROTHIAZOLE DERIVATIVES, THE PRODUCTION THEREOF AND THEIR USE AS ANORECTIC MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-04-06 WO disclosed