SCHEMBL6618608

SCHEMBL6618608

O=C1CC(CCN2CCC(Cc3cc(Cl)ccc3Br)CC2)NC(=O)N1C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 18/20 0.42
HTR1A P08908 17/20 0.42
KCNH2 Q12809 1/20 0.35
CYP2D6 P10635 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
SLC6A2 P23975 1/20 0.34

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
SCHEMBL6615278 0.91 HTR1A (0.39) SLC6A4HTR1AKCNH2NOS3NOS1
SCHEMBL6614311 0.89 SLC6A4 (0.42) SLC6A4HTR1A
SCHEMBL6617295 0.87 HTR1A (0.54) SLC6A4HTR1A
SCHEMBL6617238 0.85 HTR1A (0.48) SLC6A4HTR1ACYP2D6
SCHEMBL6418986 0.85 HTR1A (0.43) SLC6A4HTR1AKCNH2CYP2D6NOS3
SCHEMBL6416533 0.85 HTR1A (0.43) SLC6A4HTR1AKCNH2CYP2D6NOS3
SCHEMBL6613494 0.85 HTR1A (0.49) SLC6A4HTR1ACYP2D6
SCHEMBL6614527 0.82 SLC6A4 (0.43) SLC6A4HTR1ASLC6A2
SCHEMBL6618151 0.81 CCR3 (0.38) SLC6A4HTR1AKCNH2SLC6A2
SCHEMBL6615152 0.81 ALDH1A1 (0.47) SLC6A4HTR1ASLC6A2

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
EP-1466901-A1 SEROTONINE REUPTAKE INHIBITOR SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-10-13 EP disclosed