SCHEMBL7843828

SCHEMBL7843828

Cc1[nH]c2cc(F)ccc2c1C1CCC(=O)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.52
HTR2A P28223 4/20 0.43
KCNH2 Q12809 4/20 0.43
HTR2C P28335 3/20 0.43
DRD2 P14416 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 1/20 0.41
FEN1 P39748 1/20 0.38
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
TNKS2 Q9H2K2 1/20 0.38
DAO P14920 1/20 0.37
KIF11 P52732 1/20 0.37

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
SCHEMBL7841718 0.89 KEAP1 (0.47) CCR3HTR2AHTR2CKDM4EFEN1
SCHEMBL6640509 0.80 HTR2A (0.47) HTR2AKCNH2HTR2C
SCHEMBL7842995 0.73 HTR6 (0.51) HTR2AHTR2CMEN1KMT2AKDM4E
SCHEMBL7844479 0.72 HTR6 (0.50) CCR3HTR2AHTR2C
SCHEMBL7808827 0.72 L3MBTL1 (0.41) HTR2AMEN1KMT2APARP1
SCHEMBL6636763 0.71 DRD2 (0.57) HTR2AKCNH2HTR2CDRD2
SCHEMBL4078326 0.71 PARP1 (0.48) CCR3HTR2AKCNH2HTR2CDRD2
SCHEMBL11830644 0.71 PTGDR2 (0.38)
SCHEMBL22156473 0.70 SLC6A4 (0.42) CCR3HTR2AHTR2CKMT2A
Ethylene SCHEMBL7483250 0.69 DRD2 (0.55) HTR2AKCNH2HTR2CDRD2

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-1147083-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-24 EP disclosed
WO-2000040554-A1 ARYLPIPERAZINYL-CYCLOHEXYL INDOLE DERIVATIVES FOR THE TREATMENT OF DEPRESSION AMERICAN HOME PRODUCTS CORPORATION (US) 2000-07-13 WO disclosed