SCHEMBL8540771

SCHEMBL8540771

c1ccc(CCCN2CCC(CCn3nccn3)CC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.58
SIGMAR1 Q99720 3/20 0.58
CCR3 P51677 1/20 0.58
HRH3 Q9Y5N1 4/20 0.56
SLC6A4 P31645 1/20 0.52
SLC6A3 Q01959 1/20 0.52

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
SCHEMBL8545033 0.85 SIGMAR1 (0.53) GRIN2BSIGMAR1CCR3HRH3SLC6A4
SCHEMBL83059 0.84 SIGMAR1 (0.69) GRIN2BSIGMAR1CCR3HRH3
SCHEMBL7449796 0.81 SIGMAR1 (0.74) SIGMAR1CCR3HRH3
SCHEMBL7321506 0.80 SIGMAR1 (0.64) GRIN2BSIGMAR1CCR3HRH3
Hydrochloric Acid SCHEMBL7451916 0.80 SIGMAR1 (0.72) SIGMAR1CCR3HRH3
SCHEMBL7437079 0.80 SIGMAR1 (0.72) SIGMAR1CCR3HRH3
SCHEMBL7449513 0.80 SIGMAR1 (0.72) SIGMAR1CCR3HRH3
SCHEMBL7446629 0.80 SIGMAR1 (0.72) SIGMAR1CCR3HRH3
SCHEMBL7444256 0.80 SIGMAR1 (0.72) SIGMAR1CCR3HRH3
SCHEMBL7444410 0.80 SIGMAR1 (0.72) SIGMAR1CCR3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed