SCHEMBL9458409

SCHEMBL9458409

N#Cc1ccc(-c2ccc(C3CCC(CCCC=O)CC3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.39
HRH2 P25021 2/20 0.39
HRH1 P35367 2/20 0.39
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
EGLN2 Q96KS0 3/20 0.38
KCNH2 Q12809 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MMP2 P08253 1/20 0.36
ESR2 Q92731 1/20 0.36
P2RY14 Q15391 1/20 0.36
HSD11B1 P28845 1/20 0.35
CYP2C9 P11712 1/20 0.35
PAX8 Q06710 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL9458397 1.00 HRH3 (0.39) HRH3HRH2HRH1GRIA1GRIA2
SCHEMBL9326742 0.96 GRIA1 (0.41) HRH3HRH2HRH1GRIA1GRIA2
SCHEMBL9326749 0.96 GRIA1 (0.41) HRH3HRH2HRH1GRIA1GRIA2
SCHEMBL9328535 0.92 GRIA1 (0.40) GRIA1GRIA2GRIA3EGLN2USP30
SCHEMBL9328548 0.92 GRIA1 (0.40) GRIA1GRIA2GRIA3EGLN2USP30
SCHEMBL7691957 0.92 GRIA1 (0.40) HRH3HRH2HRH1GRIA1GRIA2
SCHEMBL7691956 0.92 GRIA1 (0.40) HRH3HRH2HRH1GRIA1GRIA2
SCHEMBL9502394 0.91 GRIA1 (0.39) HRH3HRH2HRH1GRIA1GRIA2
SCHEMBL2277181 0.88 GRIA1 (0.42) GRIA1GRIA2GRIA3USP30ESR2
SCHEMBL2277177 0.88 GRIA1 (0.42) GRIA1GRIA2GRIA3USP30ESR2

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-5238602-A Electrooptical cells HOFFMANN LA ROCHE INC. (US) 1993-08-24 US disclosed