SCHEMBL8540919

SCHEMBL8540919

CCCc1nccn1CCC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.56
GRIN2B Q13224 1/20 0.52
SIGMAR1 Q99720 4/20 0.48
CCR3 P51677 1/20 0.48
KCNH2 Q12809 1/20 0.46
CARM1 Q86X55 1/20 0.46
PRMT6 Q96LA8 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL8541698 0.92 HRH3 (0.54) HRH3GRIN2BSIGMAR1CCR3KCNH2
SCHEMBL8543286 0.85 GRIN2B (0.55) HRH3GRIN2BSIGMAR1CCR3KCNH2
SCHEMBL8541622 0.83 GRIN2B (0.52) HRH3GRIN2BSIGMAR1CCR3CARM1
SCHEMBL8539193 0.82 GRIN2B (0.54) HRH3GRIN2BSIGMAR1CCR3KCNH2
SCHEMBL8541444 0.81 GRIN2B (0.53) GRIN2BPOLB
SCHEMBL10417631 0.81 GNAO1 (0.47) HRH3KCNH2
SCHEMBL10417899 0.77 GNAO1 (0.48) HRH3KCNH2
SCHEMBL8539516 0.76 HRH3 (0.53) HRH3GRIN2BSIGMAR1CCR3KCNH2
SCHEMBL8545032 0.76 FAAH (0.52) GRIN2BPOLB
SCHEMBL83059 0.75 SIGMAR1 (0.69) HRH3GRIN2BSIGMAR1CCR3CARM1

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