SCHEMBL9027802

SCHEMBL9027802

COc1ccccc1CC(=O)N1CCC[C@](CCOS(C)(=O)=O)(c2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 12/20 0.59
TACR1 P25103 11/20 0.59
TACR3 P29371 4/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH1 P35367 1/20 0.42

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
SCHEMBL9027885 0.97 TACR2 (0.58) TACR2TACR1TACR3MEN1KMT2A
SCHEMBL8883851 0.95 TACR2 (0.65) TACR2TACR1TACR3MEN1KMT2A
SCHEMBL6948617 0.87 TACR2 (0.59) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL8296079 0.87 CCR5 (0.52) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL9028577 0.85 TACR2 (0.58) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL8366952 0.83 TACR2 (0.47) TACR2TACR1TACR3MEN1KMT2A
SCHEMBL6951866 0.82 TACR2 (0.62) TACR2TACR1TACR3CYP3A4CYP2D6
SCHEMBL6999634 0.82 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL8886812 0.82 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8810091 0.82 TACR2 (0.65) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed