SCHEMBL7921648

SCHEMBL7921648

COc1ccccc1N1CCN(Cc2ccc(C(C)C)cc(OCc3ccccc3)c2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.54
DRD2 P14416 6/20 0.54
DRD3 P35462 6/20 0.54
HRH2 P25021 4/20 0.54
HRH1 P35367 4/20 0.54
KDM4E B2RXH2 5/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 2/20 0.53
MAPT P10636 2/20 0.53
ALOX15 P16050 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HRH3 Q9Y5N1 1/20 0.51
HTR7 P34969 2/20 0.50
TSHR P16473 1/20 0.50
POLB P06746 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
SCHEMBL7915448 0.90 KDM4E (0.46) DRD4DRD2DRD3HRH2HRH1
SCHEMBL7924162 0.90 KDM4E (0.62) DRD4DRD2DRD3HRH2HRH1
SCHEMBL6139831 0.88 LMNA (0.56) DRD4DRD2DRD3LMNAMAPT
SCHEMBL7927130 0.88 MEN1 (0.54) DRD4DRD2DRD3KDM4ELMNA
SCHEMBL7927375 0.87 KDM4E (0.54) DRD4DRD2DRD3HRH2HRH1
SCHEMBL7921974 0.87 CA12 (0.56) LMNAMAPTHSD17B10TDP1TSHR
SCHEMBL7923134 0.86 KDM4E (0.53) DRD4DRD2DRD3HRH2HRH1
SCHEMBL7921965 0.86 ABCB1 (0.43) DRD4DRD2LMNAMAPTTSHR
SCHEMBL7915276 0.86 LMNA (0.53) KDM4ELMNAMAPTSMN1; SMN2TSHR
SCHEMBL7924072 0.85 LMNA (0.50) DRD4LMNAHTTMAPTALOX15

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