SCHEMBL7372425

SCHEMBL7372425

NC1Cc2ccccc2C1Oc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
SLC9A3 P48764 8/20 0.40
HTR1A P08908 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TRPC6 Q9Y210 1/20 0.38
KDM1A O60341 7/20 0.38
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL7374090 1.00 SLC6A2 (0.41) SLC6A2SLC6A4SLC9A3HTR1ASLC6A3
SCHEMBL7373370 0.85 SLC9A3 (0.42) SLC6A2SLC6A4SLC9A3TRPC6
SCHEMBL8638290 0.85 SLC9A3 (0.42) SLC6A2SLC6A4SLC9A3TRPC6
Hydrochloric Acid SCHEMBL7374165 0.84 SLC9A3 (0.41) SLC6A2SLC6A4SLC9A3TRPC6KDM1A
SCHEMBL7375364 0.80 SLC6A2 (0.46) SLC6A2SLC6A4SLC9A3HTR1ASLC6A3
Hydrochloric Acid SCHEMBL7376533 0.79 SLC6A2 (0.60) SLC6A2SLC6A4SLC9A3TRPC6KDM1A
Hydrochloric Acid SCHEMBL7368016 0.79 SLC6A2 (0.46) SLC6A2SLC6A4SLC9A3HTR1ASLC6A3
SCHEMBL7334192 0.77 KDM1A (0.38) SLC6A2SLC6A4HTR1ASLC6A3KDM1A
SCHEMBL7337058 0.77 KDM1A (0.38) SLC6A2SLC6A4HTR1ASLC6A3KDM1A
SCHEMBL8653729 0.77 KDM1A (0.38) SLC6A2SLC6A4HTR1ASLC6A3KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711272-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP claimed
WO-1995004028-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO claimed
US-5773463-A DECALCIFICATION OF BRAIN DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-06-30 US disclosed
EP-0711272-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-05-15 EP disclosed
WO-1995004028-A1 INDANE AND TETRAHYDRONAPHTHALENE DERIVATIVES AS CALCIUM CHANNEL ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-02-09 WO disclosed