SCHEMBL9028251

SCHEMBL9028251

COc1ccc(C(=O)N2CCCC[C@](CCOS(C)(=O)=O)(c3ccc(Cl)c(Cl)c3)C2)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 13/20 0.57
TACR1 P25103 12/20 0.57
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.43
TACR3 P29371 3/20 0.43
TSHR P16473 1/20 0.41
HRH1 P35367 1/20 0.41

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
SCHEMBL8885536 0.94 TACR2 (0.64) TACR2TACR1HTTTACR3HRH1
SCHEMBL9028577 0.90 TACR2 (0.58) TACR2TACR1HTTTACR3HRH1
SCHEMBL6948617 0.87 TACR2 (0.59) TACR2TACR1HTTTACR3HRH1
SCHEMBL9027870 0.85 TACR2 (0.56) TACR2TACR1TACR3HRH1
SCHEMBL8810091 0.84 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8886812 0.84 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL8349959 0.82 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL6999634 0.82 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL8350236 0.81 TACR2 (0.63) TACR2TACR1HTTTACR3TSHR
SCHEMBL9027948 0.81 TACR2 (0.49) TACR2TACR1MEN1KMT2AHTT

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
US-5563133-A NERVOUS SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed