SCHEMBL7922874

SCHEMBL7922874

CCOc1cc(C(C)C)ccc(CN2CCN(c3ccc(Cl)cc3C)CC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
DRD2 P14416 6/20 0.41
DRD4 P21917 6/20 0.41
DRD3 P35462 4/20 0.41
ALDH1A1 P00352 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
THRB P10828 1/20 0.39
HTR6 P50406 1/20 0.38
TP53 P04637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL7915440 0.85 DRD2 (0.51) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL7924027 0.84 LMNA (0.48) MAPTKDM4EDRD2DRD4ALDH1A1
SCHEMBL7924150 0.83 IGF1R (0.41) MAPTKDM4EDRD2ALDH1A1MEN1
SCHEMBL7923469 0.82 IGF1R (0.41) MAPTKDM4EDRD2ALDH1A1MEN1
SCHEMBL7923493 0.81 LMNA (0.47) MAPTKDM4EDRD2DRD4ALDH1A1
SCHEMBL7915529 0.80 IGF1R (0.44) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL7921573 0.80 LMNA (0.58) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL7923414 0.79 MEN1 (0.54) MAPTKDM4EDRD2DRD4DRD3
SCHEMBL7921965 0.79 ABCB1 (0.43) MAPTDRD2DRD4ALDH1A1TSHR
SCHEMBL7923980 0.79 SMN1; SMN2 (0.38) MAPTKDM4EDRD2DRD4ALDH1A1

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 2 patents. 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
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed