SCHEMBL7921789

SCHEMBL7921789

CCOc1cc(C(C)C)ccc(CN2CCC(C(=O)c3ccccc3)CC2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
UBE2N P61088 1/20 0.44
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MGLL Q99685 1/20 0.42
HTR2A P28223 2/20 0.42
BLM P54132 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL7921581 0.93 KCNH2 (0.45) CCR3KMT2AMEN1KCNH2ALDH1A1
SCHEMBL7927354 0.92 KCNH2 (0.49) CCR3KMT2AMEN1KCNH2ALDH1A1
SCHEMBL7927367 0.91 RAB9A (0.46) CCR3KMT2AMEN1ALDH1A1MGLL
SCHEMBL7921870 0.90 TACR1 (0.47) CCR3KMT2AMEN1KCNH2ALDH1A1
SCHEMBL7927342 0.85 LMNA (0.49) CCR3KMT2AMEN1KCNH2ALDH1A1
SCHEMBL7927349 0.82 MEN1 (0.50) CCR3KMT2AMEN1ALDH1A1
SCHEMBL7923414 0.81 MEN1 (0.54) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL7921573 0.80 LMNA (0.58) KMT2AMEN1ALDH1A1MAPTRECQL
SCHEMBL7915427 0.79 NPSR1 (0.47) KMT2AMEN1KCNH2ALDH1A1MAPT
SCHEMBL7915440 0.77 DRD2 (0.51) KMT2AMEN1ALDH1A1MAPTHTT

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