SCHEMBL7927375

SCHEMBL7927375

CCCOc1cc(C(C)C)ccc(CN2CCN(c3ccccc3OC)CC2)c1=O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
LMNA P02545 2/20 0.54
HTT P42858 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HSD17B10 Q99714 1/20 0.54
DRD2 P14416 5/20 0.54
DRD4 P21917 5/20 0.54
DRD3 P35462 5/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH2 P25021 3/20 0.53
HRH1 P35367 2/20 0.53
TSHR P16473 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HTR7 P34969 1/20 0.50
KMT2A Q03164 1/20 0.50
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL7923134 0.95 KDM4E (0.53) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7924162 0.91 KDM4E (0.62) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7924075 0.90 KDM4E (0.47) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7921648 0.87 DRD4 (0.54) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7915565 0.87 LMNA (0.56) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7924011 0.85 KDM4E (0.46) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7923139 0.85 MEN1 (0.53) KDM4ELMNADRD2DRD4DRD3
SCHEMBL7921790 0.84 DRD2 (0.46) LMNAHTTMAPTDRD2DRD4
SCHEMBL7915290 0.84 KDM4E (0.58) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7927315 0.84 KDM4E (0.58) KDM4ELMNAHTTMAPTALOX15

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