SCHEMBL7500742

SCHEMBL7500742

Fc1ccc(CCN2CCC(Sc3ccc4ncccc4c3)CC2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 17/20 0.46
HTR2C P28335 17/20 0.46
KCNH2 Q12809 12/20 0.46
DRD2 P14416 6/20 0.46
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL7497311 0.90 CNR1 (0.42) HTR2AHTR2CKCNH2DRD2HRH3
SCHEMBL7501576 0.87 KCNH2 (0.49) HTR2AHTR2CKCNH2DRD2HRH3
SCHEMBL7031992 0.83 HTR2A (0.59) HTR2AHTR2CKCNH2DRD2
SCHEMBL7031347 0.82 HTR2A (0.51) HTR2AHTR2CKCNH2DRD2
SCHEMBL7031635 0.75 HTR2A (0.57) HTR2AHTR2CKCNH2DRD2
SCHEMBL7033473 0.74 KCNH2 (0.48) HTR2AHTR2CKCNH2DRD2
SCHEMBL7027370 0.73 CARM1 (0.48) HTR2AHTR2CKCNH2DRD2
SCHEMBL7024620 0.73 P2RX7 (0.46) HTR2AHTR2CKCNH2DRD2
SCHEMBL7028390 0.72 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2
SCHEMBL7030766 0.72 HTR2A (0.54) HTR2AHTR2CKCNH2DRD2

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-1246803-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT 2A? RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 2002-10-09 EP disclosed
WO-2001051469-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES WHICH FUNCTION AS 5-HT2A RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2001-07-19 WO disclosed