SCHEMBL8932504

SCHEMBL8932504

COc1ccccc1CSC1CN=C(OCCN(C)C)NC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.41
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
QRFPR Q96P65 1/20 0.37
ALDH1A1 P00352 3/20 0.36
AOC3 Q16853 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR1B P28222 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
TSHR P16473 1/20 0.34
CHRM2 P08172 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HRH1 P35367 2/20 0.33
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL8932455 0.75 ALDH1A1 (0.37) QRFPRALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL8932505 0.73 CHRM2 (0.36) HTR7DRD1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL11257616 0.67 HTR7 (0.66) HTR7DRD2DRD1DRD4DRD5
SCHEMBL28104559 0.66 QRFPR (0.54) QRFPRLMNA
SCHEMBL30862623 0.64 HTR7 (0.77) HTR7DRD2DRD1DRD4DRD5
SCHEMBL2456684 0.64 HTR7 (0.77) HTR7DRD2DRD1DRD4DRD5
SCHEMBL2937482 0.61 AOC3 (0.73) HTR7AOC3CHRM2SIGMAR1
Hydrochloric Acid SCHEMBL8509376 0.60 AOC3 (0.71) HTR7ALDH1A1AOC3CHRM2SIGMAR1
SCHEMBL7618492 0.60 ALDH1A1 (0.81) HTR7DRD2DRD1DRD4DRD5
SCHEMBL8703033 0.59 HRH1 (0.61) HTR7DRD2DRD1DRD4DRD5

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
WO-1996026939-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-09-06 WO disclosed