SCHEMBL4024321

SCHEMBL4024321

NC1Cc2ccccc2C(N)C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.61
SLC6A2 P23975 5/20 0.50
SLC6A3 Q01959 5/20 0.50
SLC6A4 P31645 4/20 0.50
KDM1A O60341 6/20 0.47
PLAU P00749 1/20 0.47
HTR2A P28223 1/20 0.45
KDM1B Q8NB78 1/20 0.40

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
SCHEMBL31373436 0.81
SCHEMBL31373438 0.81
SCHEMBL2463276 0.81
Hydrochloric Acid SCHEMBL19926846 0.79 KDM1A (0.57) SIGMAR1KDM1AHTR2A
SCHEMBL19380928 0.79 SIGMAR1 (0.44) SIGMAR1SLC6A2SLC6A3SLC6A4KDM1A
SCHEMBL19381174 0.79 SIGMAR1 (0.44) SIGMAR1SLC6A2SLC6A3SLC6A4KDM1A
SCHEMBL18995781 0.79 SIGMAR1 (0.44) SIGMAR1SLC6A2SLC6A3KDM1AHTR2A
SCHEMBL16687767 0.79 SIGMAR1 (0.58) SIGMAR1SLC6A2SLC6A3SLC6A4KDM1A
Hydrochloric Acid SCHEMBL22635715 0.77 HTR2A (0.54) SIGMAR1KDM1AHTR2A
SCHEMBL12998412 0.76 SIGMAR1 (1.00) SIGMAR1SLC6A2SLC6A3SLC6A4HTR2A

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
US-7534849-B2 Compositions for use in golf balls ACUSHNET COMPANY (US) 2009-05-19 US claimed
EP-0865276-A4 POLYAMINE DERIVATIVES OF 1-AMINOINDAN GILAD GAD (IL) 2003-07-30 EP disclosed
EP-0865276-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN Gilad, Gad (IL) 1998-09-23 EP disclosed
US-5646188-A FOR TREATING NEUROTRAUMA TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-07-08 US disclosed
WO-1997002027-A1 POLYAMINE DERIVATIVES OF 1-AMINOINDAN TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 1997-01-23 WO disclosed