SCHEMBL8315452

SCHEMBL8315452

Cn1c(=O)cc(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2cc(Cl)ccc21

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.54
HTR2C P28335 4/20 0.54
HTR7 P34969 4/20 0.54
HTR6 P50406 4/20 0.54
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
HSD11B1 P28845 2/20 0.47
MGLL Q99685 1/20 0.47

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
SCHEMBL8315456 0.83 HTR2A (0.56) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL1583112 0.74 HTR2A (0.76) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL9289676 0.73 KDM4E (0.53) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL11708162 0.73 HTR2A (0.64) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL9118514 0.73 HTR2A (0.53) HTR2AHTR2CHTR7HTR6KDM4E
SCHEMBL14318600 0.73 HTR2A (0.81) HTR2AHTR2CHTR7HTR6KDM4E
Milenperone SCHEMBL29710910 0.72 CYP2D6 (0.58) HTR2AHTR2CHTR7HTR6KCNH2
Milenperone SCHEMBL121986 0.72 CYP2D6 (0.58) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL1582719 0.71 KCNH2 (0.83) HTR2AHTR2CHTR7HTR6KCNH2
SCHEMBL11708317 0.71 HTR2A (0.64) HTR2AHTR2CHTR7HTR6KCNH2

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-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP claimed
EP-0850235-B1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SANOFI SYNTHELABO (FR) 1999-12-01 EP disclosed