SCHEMBL6894213

SCHEMBL6894213

CC(C)N1CCC(CCOc2cc([N+](=O)[O-])ccc2C(F)(F)C(F)(F)F)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.44
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ACHE P22303 2/20 0.39
CYP19A1 P11511 6/20 0.37
SIGMAR1 Q99720 2/20 0.35
CTSS P25774 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
SCHEMBL449803 0.91 HRH3 (0.51) HRH3KDM4EALDH1A1TDP1ACHE
SCHEMBL1655800 0.79 ACHE (0.48) HRH3ACHECYP19A1SIGMAR1
SCHEMBL4363192 0.75 LTA4H (0.54) HRH3KDM4EALDH1A1TDP1
SCHEMBL445318 0.74 LTA4H (0.53) HRH3KDM4EALDH1A1TDP1
SCHEMBL6230486 0.74 ACHE (0.44) HRH3ACHECYP19A1SIGMAR1CTSS
SCHEMBL24192958 0.73 TDP1 (0.42) HRH3KDM4EALDH1A1TDP1ACHE
SCHEMBL444846 0.73 HRH3 (0.41) HRH3
SCHEMBL4367645 0.73 HRH3 (0.52) HRH3KDM4EALDH1A1TDP1CYP19A1
SCHEMBL4375016 0.73 CHRNB4 (0.61)
SCHEMBL4375014 0.73 CHRNB4 (0.61)

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
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 EP disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed