Sugi Predict

Sugi Predict / Compounds / SCHEMBL9045923

SCHEMBL9045923

SCHEMBL9045923

COc1cc(CN2CCC(CCCN3CCC(C(=O)O)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TACR2 P21452 12/20 0.66
▸ TACR1 P25103 12/20 0.66
▸ TACR3 P29371 3/20 0.64
▸ HRH1 P35367 1/20 0.64

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
SCHEMBL8348358 0.94 TACR2 (0.76) TACR2TACR1TACR3HRH1
SCHEMBL8353785 0.89 TACR2 (0.83) TACR2TACR1TACR3HRH1
SCHEMBL7829967 0.84 TACR2 (0.88) TACR2TACR1TACR3HRH1
SCHEMBL7829976 0.84 TACR2 (0.88) TACR2TACR1TACR3HRH1
SCHEMBL8350705 0.83 TACR2 (0.66) TACR2TACR1TACR3HRH1
SCHEMBL8349917 0.83 TACR2 (0.91) TACR2TACR1TACR3HRH1
SCHEMBL8302104 0.83 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL8348353 0.83 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL7956467 0.81 TACR2 (0.51) TACR2TACR1TACR3HRH1
SCHEMBL8353782 0.81 TACR2 (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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