SCHEMBL4686292

SCHEMBL4686292

[CH2]CCCc1cc(CCCCC)c[nH]1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 10/20 0.44
PTGS2 P35354 3/20 0.39
CYP3A4 P08684 1/20 0.39
KMT2A Q03164 1/20 0.36
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL367948 0.91 GPR84 (0.50) GPR84PTGS2CYP3A4KMT2AHTR1A
SCHEMBL12097192 0.85 HRH3 (0.44) GPR84PTGS2CYP3A4HTR1A
SCHEMBL28902375 0.80 HRH3 (0.40) GPR84PTGS2CYP3A4HTR1A
SCHEMBL1188018 0.77 PTGS2 (0.56) GPR84PTGS2CYP3A4
SCHEMBL1188359 0.75 PTGS2 (0.57) GPR84PTGS2CYP3A4
SCHEMBL1187372 0.75 PTGS2 (0.57) GPR84PTGS2CYP3A4
SCHEMBL1187904 0.75 PTGS2 (0.57) GPR84PTGS2CYP3A4
SCHEMBL1186661 0.75 PTGS2 (0.57) GPR84PTGS2CYP3A4
SCHEMBL1188092 0.75 PTGS2 (0.57) GPR84PTGS2CYP3A4
SCHEMBL1187567 0.75 PTGS2 (0.57) GPR84PTGS2CYP3A4

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-1902717-A2 Vasopressin antagonist and oxytocin antagonist Otsuka Pharmaceutical Company, Limited (JP) 2008-03-26 EP disclosed
EP-0620003-B1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMA CO LTD (JP) 2008-01-16 EP disclosed
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed
US-5622947-A VASODILATORS, HYPOTENSIVE AGENTS, DIURETICS, PLATELET AGGLUTINATION INHIBITORS; ALSO USED TO PREVENT PREMATURE BIRTH, TREAT DYSMENORRHEA OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-22 US disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed