SCHEMBL8347200

SCHEMBL8347200

COc1cccc(C(=O)N2CCC(CCNC(=O)C3(c4ccccc4)CCNCC3)(c3ccc(Cl)c(Cl)c3)C2)c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.66
TACR1 P25103 13/20 0.66
TACR3 P29371 1/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL8351114 0.94 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8350749 0.92 TACR2 (0.65) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL8640105 0.92 TACR2 (0.64) TACR2TACR1TACR3HRH1
Oxalic Acid SCHEMBL8640539 0.91 TACR2 (0.63) TACR2TACR1TACR3HRH1
SCHEMBL8355521 0.91 TACR2 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL8355446 0.88 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL8636765 0.88 TACR2 (0.59) TACR2TACR1TACR3HRH1
SCHEMBL8350481 0.88 TACR2 (0.67) TACR2TACR1TACR3HRH1
SCHEMBL8353144 0.88 TACR2 (0.58) TACR2TACR1TACR3HRH1
SCHEMBL8347416 0.88 TACR2 (0.66) 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 4 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-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