SCHEMBL7617302

SCHEMBL7617302

COCOc1ccc(C(c2ccc(OCOC)cc2)c2c(C(=O)N3CCN(c4ccccc4Cl)CC3)n(CCCCl)c3ccccc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.41
HTR2A P28223 3/20 0.41
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
CNR2 P34972 1/20 0.38
HTR7 P34969 4/20 0.38
HTR1A P08908 3/20 0.38
HTR6 P50406 3/20 0.38
POLB P06746 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2C P28335 1/20 0.36
ADORA2A P29274 4/20 0.36
ADORA2B P29275 4/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL7608654 0.98 DRD2 (0.41) DRD2HTR2ALMNAMAPK1CNR2
SCHEMBL7615685 0.92 DRD2 (0.43) DRD2HTR2ACNR2HTR7HTR1A
SCHEMBL7615648 0.92 CNR2 (0.40) DRD2HTR2ALMNAMAPK1CNR2
SCHEMBL7615669 0.92 DRD2 (0.43) DRD2HTR2ACNR2HTR7HTR1A
SCHEMBL7610983 0.92 DRD2 (0.39) DRD2HTR2ALMNAMAPK1CNR2
SCHEMBL7617308 0.91 DRD2 (0.44) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL7618619 0.91 DRD2 (0.42) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL7618168 0.91 DRD2 (0.42) DRD2HTR2AHTR7HTR1AHTR6
SCHEMBL7616570 0.91 DRD2 (0.40) DRD2HTR2ALMNAMAPK1CNR2
SCHEMBL7611941 0.91 DRD2 (0.44) DRD2HTR2ALMNAHTR7HTR1A

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-0741132-B1 INDOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2002-04-10 EP disclosed
EP-0741132-A1 INDOLE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1996-11-06 EP disclosed