SCHEMBL8355803

SCHEMBL8355803

COc1cc(C(=O)N2CCC(CCN3CCC(C(N)=O)(c4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.81

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.81
TACR1 P25103 7/20 0.81
TACR3 P29371 1/20 0.81
HRH1 P35367 1/20 0.81

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
Hydrochloric Acid SCHEMBL8640236 0.99 TACR2 (0.80) TACR2TACR1TACR3HRH1
SCHEMBL9044706 0.94 TACR2 (0.75) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL4354212 0.90 TACR2 (0.97) TACR2TACR1TACR3HRH1
SCHEMBL4208412 0.90 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL4208415 0.90 TACR2 (1.00) TACR2TACR1TACR3HRH1
SCHEMBL4208407 0.90 TACR2 (1.00) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL15798575 0.89 TACR2 (0.98) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL29404822 0.89 TACR2 (0.98) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL7465619 0.89 TACR2 (0.98) TACR2TACR1TACR3HRH1
SCHEMBL8352868 0.88 TACR2 (0.86) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5824690-A TREATING ASTHMA, COUGH HOECHST MARION ROUSSEL INC. (US) 1998-10-20 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