SCHEMBL7895706

SCHEMBL7895706

O=CC(OC(C=O)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)N1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.61
KCNH2 Q12809 4/20 0.61
SLC6A2 P23975 3/20 0.61
SLC6A4 P31645 3/20 0.61
SLC6A3 Q01959 3/20 0.61
CHRM2 P08172 3/20 0.61
ADRA2A P08913 3/20 0.61
ADRA1A P35348 3/20 0.61
HTR1A P08908 2/20 0.61
CHRM1 P11229 2/20 0.61
DRD1 P21728 2/20 0.61
TBXA2R P21731 2/20 0.61
BCL2 P10415 1/20 0.61
HRH3 Q9Y5N1 1/20 0.61
CYP2D6 P10635 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
USP2 O75604 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56

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
SCHEMBL7668121 0.84 CHRM2 (0.83) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL13309488 0.79 CYP2D6 (0.71) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL13309489 0.79 CYP2D6 (0.71) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL6824843 0.79 CYP2D6 (0.71) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL5547650 0.79 CHRM2 (0.57) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL3263286 0.78 CHRM2 (0.58) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL13900811 0.76 KCNH2 (0.76) DRD3KCNH2SLC6A2SLC6A4SLC6A3
SCHEMBL11212785 0.76 KCNH2 (0.71) DRD3KCNH2SLC6A2SLC6A4SLC6A3
Chlorcyclizine SCHEMBL4383 0.76 KCNH2 (1.00) DRD3KCNH2SLC6A2SLC6A4SLC6A3
Chlorcyclizine SCHEMBL13724147 0.76 KCNH2 (1.00) DRD3KCNH2SLC6A2SLC6A4SLC6A3

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-1085868-A1 H1-HISTAMINE RECEPTOR ANTAGONISTS Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
WO-1999063999-A1 H1-HISTAMINE RECEPTOR ANTAGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed