SCHEMBL8548452

SCHEMBL8548452

COc1ccc2[nH]cc(C(C)C3CCCN3)c2c1Cl

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 3/20 0.40
SLC6A3 Q01959 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDCD1LG2 Q9BQ51 2/20 0.37
CD274 Q9NZQ7 2/20 0.37
ADRA1A P35348 2/20 0.35
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL8209090 0.73 SLC6A4 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL8548455 0.71 SLC6A4 (0.49) SLC6A4
SCHEMBL8706824 0.70 MEN1 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8706820 0.70 MEN1 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL4383256 0.70 GPR84 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL772622 0.70 GPR84 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL5172958 0.70 GPR84 (0.50) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL8208352 0.69 HTR1D (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL26720369 0.69 MEN1 (0.57) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL1697454 0.68 SLC6A4 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0593513-B1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1998-10-28 EP claimed
US-5571833-A TREATMENT OF MIGRAINE, PORTAL HYPERTENSION SMITHKLINE BEECHAM PLC (GB) 1996-11-05 US claimed
EP-0593513-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1994-04-27 EP claimed
WO-1993000333-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO claimed
EP-0593513-B1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1998-10-28 EP disclosed
US-5571833-A TREATMENT OF MIGRAINE, PORTAL HYPERTENSION SMITHKLINE BEECHAM PLC (GB) 1996-11-05 US disclosed
EP-0593513-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE RECEPTORS OR 5-HT2 RECEPTOR AGONISTES SMITHKLINE BEECHAM PLC (GB) 1994-04-27 EP disclosed
WO-1993000333-A1 TRYPTAMINE ANALOGUES, THEIR SYNTHESIS AND THEIR USE AS 5-HT1-LIKE OR 5-HT2 RECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-01-07 WO disclosed