SCHEMBL8318974

SCHEMBL8318974

COc1cccc2c(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)cc(=O)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 10/20 0.53
HTR2C P28335 7/20 0.53
HTR7 P34969 5/20 0.53
HTR6 P50406 5/20 0.53
GRM2 Q14416 1/20 0.52
DRD2 P14416 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C19 P33261 2/20 0.50
HTR1A P08908 2/20 0.50
CYP2C9 P11712 2/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 2/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD1 P21728 1/20 0.50

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
SCHEMBL8314934 0.82 HTR2A (0.52) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL6603889 0.80 HTR2A (0.68) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL8315456 0.77 HTR2A (0.56) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL9368018 0.75 HTR2A (0.72) HTR2AHTR2CHTR7HTR6GRM2
Hydrochloric Acid SCHEMBL9362999 0.74 HTR2A (0.71) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL9118626 0.74 HTR2A (0.50) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL10713583 0.72 WNT3A (0.66) HTR2AHTR2CHTR7HTR6GRM2
SCHEMBL11617490 0.72 HTR2A (0.68) HTR2AHTR2CHTR7HTR6DRD2
SCHEMBL8315452 0.72 HTR2A (0.54) HTR2AHTR2CHTR7HTR6CYP1A2
Hydrochloric Acid SCHEMBL11619993 0.71 HTR2A (0.67) HTR2AHTR2CHTR7HTR6DRD2

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