SCHEMBL8809793

SCHEMBL8809793

COc1cc(C(=O)N2CC(CCCS(=O)(=O)O)(c3ccc(Cl)c(Cl)c3)CC2=O)cc(OC)c1OC

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 3/20 0.46
TACR1 P25103 3/20 0.46
HRH1 P35367 3/20 0.46
TACR3 P29371 1/20 0.46

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
SCHEMBL8810152 0.97 HRH1 (0.45) TACR2TACR1HRH1TACR3
SCHEMBL8349882 0.89 TACR2 (0.48) TACR2TACR1HRH1TACR3
SCHEMBL8349846 0.87 TACR2 (0.49) TACR2TACR1HRH1TACR3
SCHEMBL8347210 0.85 TACR2 (0.62) TACR2TACR1HRH1TACR3
SCHEMBL8355673 0.82 TACR2 (0.61) TACR2TACR1HRH1TACR3
SCHEMBL8355618 0.82 TACR2 (0.53) TACR2TACR1HRH1TACR3
SCHEMBL8811706 0.82 CCR5 (0.42) TACR2TACR1HRH1TACR3
SCHEMBL8636585 0.80 TACR2 (0.56) TACR2TACR1HRH1TACR3
SCHEMBL8349973 0.79 HRH1 (0.43) TACR2TACR1HRH1TACR3
SCHEMBL8350726 0.78 TACR2 (0.73) TACR2TACR1HRH1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696280-B1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL PHARMA INC (US) 1997-09-24 EP disclosed
US-5661160-A ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM MERRELL PHARMACEUTICALS INC. (US) 1997-08-26 US disclosed
US-5648366-A TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA MERRELL PHARMACEUTICALS INC. (US) 1997-07-15 US disclosed
US-5635510-A TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS MERRELL PHARMACEUTICALS INC. (US) 1997-06-03 US disclosed
EP-0696280-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMA (US) 1996-02-14 EP disclosed
WO-1994026735-A1 SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS MERRELL DOW PHARMACEUTICALS INC. (US) 1994-11-24 WO disclosed