SCHEMBL8356231

SCHEMBL8356231

COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccc4)CC3)(c3ccccc3F)C2)cc(OC)c1OC

nearest known ligand 0.82

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.75
TACR1 P25103 7/20 0.75
TACR3 P29371 1/20 0.75
HRH1 P35367 1/20 0.75

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
SCHEMBL8642770 0.93 TACR2 (0.72) TACR2TACR1TACR3HRH1
SCHEMBL8350027 0.91 TACR2 (0.86) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8355581 0.90 TACR2 (0.85) TACR2TACR1TACR3HRH1
SCHEMBL8637866 0.90 TACR2 (0.82) TACR2TACR1TACR3HRH1
SCHEMBL8635882 0.90 TACR2 (0.81) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8641492 0.89 TACR2 (0.81) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8636675 0.89 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL8353159 0.88 TACR2 (0.87) TACR2TACR1TACR3HRH1
SCHEMBL8636991 0.87 TACR2 (0.85) TACR2TACR1TACR3HRH1
SCHEMBL8638682 0.87 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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