SCHEMBL8355602

SCHEMBL8355602

COc1cccc(OC)c1C(=O)N1CCC(CCOS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 14/20 0.63
TACR1 P25103 13/20 0.63
TACR3 P29371 1/20 0.49
HRH1 P35367 1/20 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
SCHEMBL8810091 0.90 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8886812 0.90 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8352522 0.88 TACR2 (0.68) TACR2TACR1TACR3HRH1
SCHEMBL6999617 0.86 TACR2 (0.63) TACR2TACR1TACR3HRH1
SCHEMBL8355505 0.86 TACR2 (0.62) TACR2TACR1TACR3HRH1
SCHEMBL7000239 0.86 TACR2 (0.63) TACR2TACR1TACR3HRH1
SCHEMBL6995921 0.86 TACR2 (0.63) TACR2TACR1TACR3HRH1
SCHEMBL8883851 0.86 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8355784 0.85 TACR2 (0.59) TACR2TACR1TACR3HRH1
SCHEMBL8885536 0.85 TACR2 (0.64) TACR2TACR1TACR3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0573542-B1 IMIDAZOLE-DERIVATIVES HAVING ANTAGONISTIC ACTIVITY ON THE HISTAMINE H3-RECEPTOR SEED CAPITAL INVESTMENTS (NL) 1997-10-15 EP claimed
US-5861416-A TREATMENT OF ASTHMA OR COUGH MERRELL PHARMACEUTICALS INC. (US) 1999-01-19 US disclosed
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 US disclosed
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