SCHEMBL7956428

SCHEMBL7956428

CCOc1cc(C(=O)N2CCC(CCO)(c3ccc(OC)c(OC)c3)C2)cc(OCC)c1OCC

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.54
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TACR2 P21452 4/20 0.48
TACR1 P25103 4/20 0.48
TACR3 P29371 1/20 0.48
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8319726 0.91 TACR2 (0.52) HRH1TACR2TACR1TACR3
SCHEMBL8808227 0.90 SMN1; SMN2 (0.50) HRH1GAASMN1; SMN2L3MBTL1TACR2
SCHEMBL6997426 0.89 TACR2 (0.58) HRH1TACR2TACR1TACR3
SCHEMBL7955900 0.89 HRH1 (0.52) HRH1GAASMN1; SMN2HPGDL3MBTL1
SCHEMBL8350431 0.88 HRH1 (0.53) HRH1GAASMN1; SMN2HPGDL3MBTL1
SCHEMBL8846555 0.88 TACR2 (0.53) HRH1GAASMN1; SMN2TACR2TACR1
SCHEMBL7956025 0.84 HRH1 (0.52) HRH1TACR2TACR1TACR3
SCHEMBL8347218 0.83 TACR2 (0.73) HRH1TACR2TACR1TACR3
SCHEMBL8347215 0.80 HRH1 (0.50) HRH1TACR2TACR1TACR3
SCHEMBL6992795 0.80 TACR2 (0.54) HRH1TACR2TACR1TACR3

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
US-6329392-B1 ANTIALLERGENS AVENTIS PHARMACEUTICALS, INC. 2001-12-11 US disclosed
EP-0777666-B1 SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMA INC (US) 1999-03-03 EP 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
EP-0777666-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1997-06-11 EP 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
WO-1996006094-A1 NOVEL SUBSTITUTED PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES MERRELL PHARMACEUTICALS INC. (US) 1996-02-29 WO 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