SCHEMBL8543286

SCHEMBL8543286

Cc1nccn1CCC1CCN(CCCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.55
HRH3 Q9Y5N1 4/20 0.53
SIGMAR1 Q99720 4/20 0.51
CCR3 P51677 1/20 0.51
P2RX7 Q99572 1/20 0.51
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
HTR2A P28223 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL8543391 0.89 F10 (0.49) GRIN2BHRH3SIGMAR1P2RX7KCNH2
SCHEMBL8539193 0.87 GRIN2B (0.54) GRIN2BHRH3SIGMAR1CCR3HTR2A
SCHEMBL8541698 0.86 HRH3 (0.54) GRIN2BHRH3SIGMAR1CCR3CARM1
SCHEMBL8540919 0.85 HRH3 (0.56) GRIN2BHRH3SIGMAR1CCR3CARM1
SCHEMBL8541622 0.85 GRIN2B (0.52) GRIN2BHRH3SIGMAR1CCR3CARM1
SCHEMBL8545094 0.83 F10 (0.57) GRIN2BSIGMAR1
SCHEMBL8539516 0.81 HRH3 (0.53) GRIN2BHRH3SIGMAR1CCR3CARM1
SCHEMBL5069468 0.81 ALDH1A1 (0.59) SIGMAR1P2RX7
SCHEMBL8546968 0.80 F10 (0.57) GRIN2B
Hydrochloric Acid SCHEMBL10419172 0.80 ALDH1A1 (0.52) HRH3P2RX7KCNH2

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 3 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
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