SCHEMBL8106448

SCHEMBL8106448

O=C(Cl)C1(c2cccc3ccccc23)CCC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.45
SLC6A4 P31645 7/20 0.45
SLC6A2 P23975 6/20 0.45
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
HDAC4 P56524 2/20 0.38
AKR1C1 Q04828 1/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL30344677 0.95 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2NR4A1NR4A2
SCHEMBL8747018 0.95 SLC6A3 (0.42) SLC6A3SLC6A4SLC6A2NR4A1NR4A2
SCHEMBL8112531 0.84 AKR1C1 (0.52) SLC6A3SLC6A4SLC6A2NR4A1NR4A2
SCHEMBL12020292 0.83 SLC6A3 (0.46) SLC6A3SLC6A4SLC6A2NR4A1NR4A2
SCHEMBL697151 0.79 AKR1C1 (0.48) SLC6A3SLC6A4SLC6A2NR4A1NR4A2
SCHEMBL27926942 0.78 SLC6A3 (0.53) SLC6A3SLC6A4SLC6A2HDAC4AKR1C1
SCHEMBL8104865 0.75 HDAC4 (0.44) HDAC4AKR1C1MEN1KMT2A
SCHEMBL2944626 0.74 SLC6A3 (0.55) SLC6A3SLC6A4SLC6A2HDAC4MEN1
SCHEMBL25155178 0.74 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2MEN1MAPT
SCHEMBL30344744 0.74 SLC6A3 (0.50) SLC6A3SLC6A4SLC6A2MEN1MAPT

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
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed