SCHEMBL7947733

SCHEMBL7947733

CC(=O)N1CCN(Cc2cc(Cl)ccc2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.55
LMNA P02545 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.50
ATM Q13315 1/20 0.50
ALDH1A1 P00352 5/20 0.49
HPGD P15428 1/20 0.48
F2 P00734 1/20 0.47
F10 P00742 1/20 0.47
SLC2A1 P11166 1/20 0.47
KDM4E B2RXH2 1/20 0.47
RAB9A P51151 1/20 0.47
FAAH O00519 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 1/20 0.46
MCHR1 Q99705 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL11154695 0.87 ALDH1A1 (0.61) HRH3LMNAKMT2AMEN1ATM
SCHEMBL3262200 0.86 HRH3 (0.52) HRH3LMNAKMT2AMEN1ATM
SCHEMBL6935906 0.83 ALDH1A1 (0.72) LMNADRD2DRD4KMT2AMEN1
SCHEMBL18917684 0.81 VEGFA (0.59) DRD2DRD4KMT2AMEN1ALDH1A1
SCHEMBL23230116 0.81 HRH3 (0.53) HRH3LMNAKMT2AMEN1ATM
SCHEMBL7957253 0.79 ALDH1A1 (0.45) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL21802509 0.78 MGLL (0.53) HRH3LMNAKMT2AMEN1ATM
SCHEMBL7961532 0.76 ALDH1A1 (0.42) LMNAKMT2AMEN1ALDH1A1HPGD
SCHEMBL30596568 0.76 MEN1 (0.60) HRH3DRD2KMT2AMEN1ALDH1A1
SCHEMBL15277893 0.74 MGLL (0.50) HRH3LMNAKMT2AMEN1ALDH1A1

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-6271234-B1 DERIVATIVES WHICH BIND TO SEROTONERGIC RECEPTORS; TREATING DISORDERS OF THE LOWER URINARY TRACT RECORDATI S.A., CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2001-08-07 US disclosed