Sugi Predict

Sugi Predict / Compounds / SCHEMBL9027834

SCHEMBL9027834

SCHEMBL9027834

CC(C)Oc1cccc(CC(=O)C2CC(CCN3CCC(N4CCCCC4)CC3)(c3ccc(C(F)(F)F)c(C(F)(F)F)c3)CCCN2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 4/20 0.39
▸ TACR2 P21452 1/20 0.39
▸ HRH1 P35367 1/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.37
▸ BRS3 P32247 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9028402 0.95 TACR1 (0.40) TACR1TACR2HRH1BRS3KDM4E
SCHEMBL9027969 0.90 TACR1 (0.41) TACR1TACR2HRH1HRH3
SCHEMBL9028179 0.89 TACR1 (0.41) TACR1TACR2HRH1HRH3
SCHEMBL9027860 0.89 TACR1 (0.41) TACR1TACR2HRH1HRH3KDM4E
SCHEMBL9028111 0.89 TACR1 (0.42) TACR1TACR2HRH1HRH3KDM4E
SCHEMBL9027964 0.89 TACR1 (0.40) TACR1TACR2HRH1
SCHEMBL9028147 0.89 TACR1 (0.50) TACR1TACR2
SCHEMBL9027893 0.89 TACR1 (0.41) TACR1TACR2HRH1HRH3KDM4E
SCHEMBL9028039 0.88 TACR1 (0.44) TACR1TACR2HRH1HRH3KDM4E
SCHEMBL9028158 0.88 TACR1 (0.44) TACR1TACR2HRH1HRH3

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