SCHEMBL7921790

SCHEMBL7921790

CCCOc1cc(C(C)C)ccc(CN2CCN(c3ccc(OC)cc3)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.46
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
USP2 O75604 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
DRD4 P21917 2/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL7927355 0.96 DRD2 (0.46) DRD2MAPTLMNAHTTTDP1
SCHEMBL7915494 0.90 LMNA (0.45) DRD2MAPTLMNAHTTALDH1A1
SCHEMBL7927267 0.90 MAPT (0.49) MAPTLMNAHTTTDP1ALDH1A1
SCHEMBL7915565 0.89 LMNA (0.56) DRD2MAPTLMNAHTTALDH1A1
SCHEMBL7923972 0.87 LMNA (0.44) DRD2MAPTLMNAHTTALDH1A1
SCHEMBL7921529 0.86 LMNA (0.55) MAPTLMNAALDH1A1TSHRTP53
SCHEMBL7923508 0.86 MEN1 (0.44) MAPTLMNAHTTALDH1A1TSHR
SCHEMBL7921974 0.86 CA12 (0.56) MAPTLMNATDP1ALDH1A1TSHR
SCHEMBL7927375 0.84 KDM4E (0.54) DRD2MAPTLMNAHTTTDP1
SCHEMBL7921580 0.83 LMNA (0.45) DRD2MAPTLMNAHTTALDH1A1

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