SCHEMBL8353159

SCHEMBL8353159

COc1ccc(C2(CCN3CCC(C(N)=O)(c4ccccc4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.87
TACR1 P25103 8/20 0.87
TACR3 P29371 1/20 0.87
HRH1 P35367 1/20 0.87

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
SCHEMBL8350027 0.95 TACR2 (0.86) TACR2TACR1TACR3HRH1
SCHEMBL8636511 0.94 TACR2 (0.91) TACR2TACR1TACR3HRH1
SCHEMBL8355599 0.94 TACR2 (0.77) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8355581 0.94 TACR2 (0.85) TACR2TACR1TACR3HRH1
SCHEMBL4208412 0.93 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL4208407 0.93 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL4208415 0.93 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL8639506 0.93 TACR2 (0.83) TACR2TACR1TACR3HRH1
SCHEMBL8636991 0.93 TACR2 (0.85) TACR2TACR1TACR3HRH1
SCHEMBL8355643 0.93 TACR2 (0.83) 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 10 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 claimed
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 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