SCHEMBL9028345

SCHEMBL9028345

CC(C)Oc1cccc(C(=O)C2CC(CCN3CCC(N4CCCCC4)CC3)(c3ccc4ccccc4c3)CCCN2)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HRH1 P35367 1/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35

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
SCHEMBL9027249 0.90 KDM4E (0.42) KDM4EL3MBTL1KMT2AALDH1A1LMNA
SCHEMBL9028179 0.90 TACR1 (0.41) HRH3HRH1TACR2TACR1
SCHEMBL9028341 0.83 KMT2A (0.47) KDM4EL3MBTL1KMT2AALDH1A1MEN1
SCHEMBL8882895 0.82 TACR2 (0.49) KDM4EL3MBTL1KMT2AALDH1A1HRH1
SCHEMBL8882906 0.82 TACR2 (0.49) KDM4EL3MBTL1KMT2AALDH1A1HRH1
SCHEMBL9027860 0.81 TACR1 (0.41) KDM4EL3MBTL1HRH3HRH1TACR2
SCHEMBL9028111 0.81 TACR1 (0.42) KDM4EL3MBTL1HRH3HRH1TACR2
SCHEMBL9027893 0.81 TACR1 (0.41) KDM4EL3MBTL1HRH3HRH1TACR2
SCHEMBL9027969 0.81 TACR1 (0.41) HRH3HRH1TACR2TACR1
SCHEMBL9028147 0.81 TACR1 (0.50) TACR2TACR1

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