SCHEMBL7921616

SCHEMBL7921616

CCCOc1cc(C(C)C)ccc(CN2CCN(c3cccc(F)c3)CC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.43
HTR2A P28223 3/20 0.40
HTR1A P08908 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
SLC6A4 P31645 1/20 0.40
GAA P10253 1/20 0.39
XBP1 P17861 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC2A1 P11166 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMO Q99835 1/20 0.36
HTR7 P34969 1/20 0.36

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
SCHEMBL7921905 0.92 LMNA (0.46) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7921580 0.90 LMNA (0.45) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7923527 0.90 TP53 (0.47) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7915565 0.89 LMNA (0.56) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7923296 0.88 LMNA (0.47) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7927261 0.87 LMNA (0.48) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7924033 0.85 LMNA (0.44) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7915494 0.84 LMNA (0.45) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7921529 0.84 LMNA (0.55) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7921923 0.83 LMNA (0.58) LMNAALDH1A1TSHRMAPTTP53

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