SCHEMBL27657802

SCHEMBL27657802

Fc1cc[c]c(C2CCNCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.39
SLC6A4 P31645 10/20 0.39
SLC6A3 Q01959 9/20 0.39
HTR1A P08908 6/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
MPO P05164 1/20 0.36
HTR2C P28335 2/20 0.36
QDPR P09417 1/20 0.36
HTR6 P50406 2/20 0.36

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
SCHEMBL4075115 0.87 PTGS1 (0.31)
SCHEMBL9730874 0.83 PTGDR2 (0.33)
SCHEMBL19595794 0.83 ABCC8 (0.31)
SCHEMBL7838303 0.81 PTGDR2 (0.35) HTR2C
SCHEMBL433060 0.81 PTGDR2 (0.35) HTR2C
SCHEMBL2097686 0.80 QDPR (0.49) SLC18A3SIGMAR1HTR2CQDPRHTR6
SCHEMBL3764985 0.79 ESR2 (0.36)
SCHEMBL5106428 0.79 HTR3A (0.41) SLC6A2SLC6A4SLC6A3HTR1ASLC18A3
SCHEMBL8558191 0.79 HTR2C (0.50) SLC6A2SLC6A4SLC6A3HTR1ASLC18A3
SCHEMBL3770026 0.79 ESR2 (0.36)

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
CN-1972911-A 2-(1h-indolylsulfanyl)-aryl amine derivatives for use in the treatment of affective disorders, pain, adhd and stress urinary incontinence LUNDBECK & CO AS H (DK) 2007-05-30 CN disclosed