SCHEMBL7040434

SCHEMBL7040434

O=C(C=Cc1ccccc1)NC1CCC(NC(=O)C=Cc2ccccc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.63
HTR2A P28223 1/20 0.63
HTR2C P28335 1/20 0.63
HTR2B P41595 1/20 0.63
SIGMAR1 Q99720 1/20 0.63
HDAC3 O15379 1/20 0.61
HDAC4 P56524 1/20 0.61
HDAC1 Q13547 1/20 0.61
HDAC2 Q92769 1/20 0.61
HDAC8 Q9BY41 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
CYP1A2 P05177 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 2/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 1/20 0.59
MMP2 P08253 2/20 0.56
EGFR P00533 1/20 0.56
MMP1 P03956 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
SCHEMBL21593634 1.00 DRD2 (0.63) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL7040433 1.00 DRD2 (0.63) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL692583 0.93 CYP1A2 (0.70) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL692584 0.93 CYP1A2 (0.70) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL13169532 0.92 CYP1A2 (0.73) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL28891768 0.92 CYP1A2 (0.73) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL28456976 0.92 CYP1A2 (0.73) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL13610586 0.91 DRD2 (0.58) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15418866 0.90 DRD2 (0.57) DRD2HTR2AHTR2CHTR2BSIGMAR1
SCHEMBL15418864 0.90 DRD2 (0.57) DRD2HTR2AHTR2CHTR2BSIGMAR1

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-1291718-A2 Photopolymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 2003-03-12 EP disclosed