SCHEMBL7915440

SCHEMBL7915440

CCOc1cc(C(C)C)ccc(CN2CCN(c3ccccc3Cl)CC2)c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.51
DRD4 P21917 5/20 0.51
DRD3 P35462 5/20 0.51
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
KDM4E B2RXH2 6/20 0.48
MAPT P10636 2/20 0.48
PLA2G1B P04054 1/20 0.48
RAB9A P51151 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
HTR7 P34969 1/20 0.46
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL7924075 0.92 KDM4E (0.47) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7924011 0.91 KDM4E (0.46) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7927315 0.90 KDM4E (0.58) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7915448 0.89 KDM4E (0.46) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7921573 0.86 LMNA (0.58) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7923414 0.86 MEN1 (0.54) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7922874 0.85 MAPT (0.44) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7921984 0.83 ALDH1A1 (0.57) DRD4DRD3ALDH1A1TSHRKDM4E
SCHEMBL7927375 0.82 KDM4E (0.54) DRD2DRD4DRD3ALDH1A1TSHR
SCHEMBL7924162 0.82 KDM4E (0.62) DRD2DRD4DRD3ALDH1A1TSHR

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
US-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed