SCHEMBL9360288

SCHEMBL9360288

CC(=O)N(Br)CCCCN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.53
ADRA1A P35348 2/20 0.53
ADRA1B P35368 2/20 0.53
ALOX5 P09917 6/20 0.50
HRH1 P35367 6/20 0.50
DRD2 P14416 3/20 0.49
DRD4 P21917 2/20 0.49
HTR2A P28223 2/20 0.49
HTR7 P34969 2/20 0.49
DRD3 P35462 2/20 0.49
IGF1R P08069 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
HTR1A P08908 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA1D P25100 1/20 0.45

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
SCHEMBL22252849 0.78 ACHE (0.78) ACHEADRA1AADRA1BHRH1DRD2
SCHEMBL16227246 0.77 ACHE (0.68) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL7395278 0.76 ACHE (0.69) ACHEADRA1AADRA1BHRH1DRD2
SCHEMBL16226783 0.76 ACHE (0.69) ACHEADRA1AADRA1BHRH1DRD2
SCHEMBL9360735 0.75 DRD2 (0.45) ACHEADRA1AADRA1BALOX5HRH1
SCHEMBL9360297 0.74 ACHE (0.53) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL9249869 0.74 ACHE (0.68) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL22252679 0.74 ACHE (0.88) ACHEADRA1AADRA1BHRH1DRD2
SCHEMBL21663684 0.74 DRD2 (0.56) ACHEADRA1AADRA1BDRD2DRD4
SCHEMBL22252847 0.73 ACHE (0.66) ACHEADRA1AADRA1BHRH1DRD2

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
EP-0419676-B1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LTD (JP) 1994-12-07 EP disclosed
EP-0419676-A1 THIONAPHTHALENE DERIVATIVES, METHOD OF PRODUCING THE SAME, AND ANTIALLERGIC AGENT CONTAINING THE SAME TEIJIN LIMITED (JP) 1991-04-03 EP disclosed