SCHEMBL8129227

SCHEMBL8129227

COc1cc2c(cc1C(F)(F)F)N(C(=O)N(Oc1cccnc1)c1cccnc1)CC2

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 20/20 0.64
HTR2A P28223 17/20 0.64
CYP1A2 P05177 10/20 0.64
HTR2B P41595 16/20 0.59
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56
GMNN O75496 1/20 0.56
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPT P10636 1/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56

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
SCHEMBL7078076 0.86 HTR2C (0.64) HTR2CHTR2ACYP1A2HTR2BKDM4E
SCHEMBL7374660 0.85 HTR2C (0.65) HTR2CHTR2ACYP1A2HTR2BKDM4E
SCHEMBL8113401 0.85 HTR2C (0.58) HTR2CHTR2ACYP1A2HTR2BKDM4E
SCHEMBL7085815 0.84 HTR2C (0.62) HTR2CHTR2ACYP1A2HTR2BMEN1
SCHEMBL7081852 0.83 HTR2C (0.59) HTR2CHTR2ACYP1A2HTR2BKDM4E
SCHEMBL8127392 0.81 HTR2C (0.57) HTR2CHTR2ACYP1A2HTR2BKDM4E
SCHEMBL7473419 0.80 HTR2C (0.59) HTR2CHTR2ACYP1A2HTR2BCYP2C9
SCHEMBL7041601 0.79 HTR2C (0.55) HTR2CHTR2ACYP1A2HTR2BKDM4E
SCHEMBL7079140 0.78 HTR2C (0.59) HTR2CHTR2ACYP1A2HTR2BKDM4E
SCHEMBL7376883 0.78 HTR2C (0.60) HTR2CHTR2ACYP1A2HTR2BMEN1

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-0808312-B1 INDOLE DERIVATIVES AS 5-HT RECEPTOR ANTAGONIST SMITHKLINE BEECHAM PLC (GB) 2000-11-02 EP claimed