SCHEMBL8882895

SCHEMBL8882895

CC(C)Oc1cccc(C(=O)N2CC[C@@](CCN3CCC(N4CCCCC4)CC3)(c3ccc4ccccc4c3)C2)c1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 9/20 0.49
TACR1 P25103 7/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
HTT P42858 1/20 0.46
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HRH1 P35367 3/20 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
SCHEMBL8882906 1.00 TACR2 (0.49) TACR2TACR1KMT2AMEN1GAA
SCHEMBL9028341 0.96 KMT2A (0.47) TACR2TACR1KMT2AMEN1GAA
SCHEMBL8883870 0.89 KMT2A (0.46) TACR2TACR1KMT2AMEN1GAA
SCHEMBL8883877 0.89 KMT2A (0.46) TACR2TACR1KMT2AMEN1GAA
SCHEMBL8883323 0.88 TACR1 (0.60) TACR2TACR1HRH1
SCHEMBL8883332 0.88 TACR1 (0.60) TACR2TACR1HRH1
SCHEMBL9027244 0.86 KMT2A (0.47) TACR2TACR1KMT2AMEN1GAA
SCHEMBL9028177 0.84 TACR1 (0.56) TACR2TACR1HRH1
SCHEMBL9028345 0.82 KDM4E (0.42) TACR2TACR1KMT2AMEN1GAA
SCHEMBL8884481 0.79 MEN1 (0.47) TACR2TACR1KMT2AMEN1GAA

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-5607947-A Pyrrolidinyl tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1997-03-04 US disclosed
EP-0714891-A1 Heterocyclic tachykinin receptor antagonists ELI LILLY AND COMPANY (US) 1996-06-05 EP disclosed