SCHEMBL6609212

SCHEMBL6609212

FC(F)(F)COc1ccccc1C1CNCCN1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.39
▸ SLC6A2 P23975 5/20 0.39
▸ HTR1A P08908 4/20 0.36
▸ SLC6A3 Q01959 4/20 0.36
▸ SSTR4 P31391 5/20 0.35
▸ SSTR1 P30872 2/20 0.35
▸ ACP1 P24666 1/20 0.35
▸ MRGPRX1 Q96LB2 1/20 0.34
▸ HTR2C P28335 4/20 0.34
▸ LTA4H P09960 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2B P41595 2/20 0.33
▸ DRD2 P14416 1/20 0.32
▸ ADRA1D P25100 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ ADRA1B P35368 1/20 0.32

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
SCHEMBL4741235 0.81 HTR2C (0.45) SLC6A4SLC6A2SLC6A3HTR2CHTR2A
SCHEMBL11558603 0.79 SLC6A4 (0.59) SLC6A4SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL6606771 0.77 SLC6A2 (0.40) SLC6A4SLC6A2HTR1ASSTR4SSTR1
SCHEMBL1638122 0.76 HTR2C (0.54) SLC6A4SLC6A2SLC6A3HTR2CHTR2A
SCHEMBL28776903 0.76 HTR2C (0.54) SLC6A4SLC6A2SLC6A3HTR2CHTR2A
SCHEMBL25355557 0.76 HTR2C (0.54) SLC6A4SLC6A2SLC6A3HTR2CHTR2A
SCHEMBL5566775 0.76 HTR2C (0.54) SLC6A4SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL28205555 0.75 KMT2A (0.40) SLC6A4SLC6A2HTR1ASLC6A3SSTR4
SCHEMBL13999230 0.75 SLC6A2 (0.62) SLC6A4SLC6A2HTR1ASLC6A3HTR2C
SCHEMBL25355022 0.72 HTR2A (0.48) SLC6A4SLC6A2HTR1ASLC6A3SSTR4

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-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 — — EP disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — WO disclosed
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