SCHEMBL7988993

SCHEMBL7988993

CC(c1ccccc1)(c1ccccc1)N(CCCc1c[nH]cn1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.34
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
BLM P54132 2/20 0.33
CYP2D6 P10635 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HIF1A Q16665 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
PGR P06401 1/20 0.31
THRB P10828 1/20 0.31
ADRB3 P13945 1/20 0.31

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
SCHEMBL4384698 0.82
SCHEMBL7991354 0.75
SCHEMBL4376051 0.73 POLB (0.33) KDM4EPOLBALDH1A1CYP2C19CYP3A4
SCHEMBL7987124 0.73 ADRA2C (0.38) ALDH1A1MEN1KMT2ACYP2C19CYP3A4
SCHEMBL7977296 0.72 PTGDR2 (0.43) KDM4EPOLBALDH1A1CYP2C19CYP3A4
SCHEMBL4379243 0.72 PTGDR2 (0.36) KDM4EPOLBALDH1A1CYP2C19CYP3A4
SCHEMBL7988259 0.72 AOC3 (0.35) KDM4E
SCHEMBL4388838 0.72 HRH3 (0.38) SMN1; SMN2
SCHEMBL7284625 0.72 GRIN2D (0.30)
Hydrochloric Acid SCHEMBL7293875 0.71 GRIN2D (0.32)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed