SCHEMBL14640459

SCHEMBL14640459

OCC1CNCC[C@@H]1c1ccc(Br)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 9/20 0.51
REN P00797 1/20 0.44
FPR1 P21462 1/20 0.42
GRK2 P25098 1/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
SLC6A2 P23975 8/20 0.39
SLC6A3 Q01959 4/20 0.39

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
SCHEMBL18619443 1.00 SLC6A4 (0.51) SLC6A4RENFPR1GRK2HTR2C
SCHEMBL7850673 0.84 HTR3A (0.53) SLC6A4RENSLC6A2SLC6A3
SCHEMBL1945968 0.84 GRK2 (0.56) SLC6A4GRK2HTR2CHTR2BSLC6A2
SCHEMBL4428153 0.84 GRK2 (0.56) SLC6A4GRK2HTR2CHTR2BSLC6A2
SCHEMBL1096634 0.84 GRK2 (0.56) SLC6A4GRK2HTR2CHTR2BSLC6A2
SCHEMBL7035325 0.84 GRK2 (0.56) SLC6A4GRK2HTR2CHTR2BSLC6A2
SCHEMBL7956982 0.84 GRK2 (0.41) SLC6A4GRK2HTR2BSLC6A2SLC6A3
SCHEMBL4429628 0.84 GRK2 (0.56) SLC6A4GRK2HTR2CHTR2BSLC6A2
SCHEMBL1095996 0.83 SLC18A3 (0.48) SLC6A4SLC6A2
SCHEMBL6946523 0.83 SLC18A3 (0.48) SLC6A4SLC6A2

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
WO-2007007072-A1 5-HTX MODULATORS BIO-MEDISINSK INNOVASJON AS (NO) 2007-01-18 WO disclosed