SCHEMBL8350431

SCHEMBL8350431

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 5/20 0.53
TACR2 P21452 4/20 0.45
TACR1 P25103 4/20 0.45
TACR3 P29371 1/20 0.45
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL8353694 0.90 HRH1 (0.55) HRH1TACR2TACR1TACR3
SCHEMBL7955900 0.90 HRH1 (0.52) HRH1TACR2TACR1TACR3GAA
SCHEMBL8351521 0.89 TACR2 (0.49) HRH1TACR2TACR1TACR3
SCHEMBL7956428 0.88 HRH1 (0.54) HRH1TACR2TACR1TACR3GAA
SCHEMBL8636585 0.83 TACR2 (0.56) HRH1TACR2TACR1TACR3
SCHEMBL8640617 0.82 TACR2 (0.50) HRH1TACR2TACR1TACR3
SCHEMBL8347210 0.82 TACR2 (0.62) HRH1TACR2TACR1TACR3
SCHEMBL8641331 0.81 ALDH1A1 (0.52) HRH1TACR2TACR1TACR3L3MBTL1
SCHEMBL8639998 0.81 TACR2 (0.51) HRH1TACR2TACR1TACR3
SCHEMBL8636061 0.81 TACR2 (0.49) 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 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