SCHEMBL8540740

SCHEMBL8540740

Cc1cn(CCC2CCN(CCCc3ccccc3)CC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.53
GRIN2B Q13224 1/20 0.52
SIGMAR1 Q99720 4/20 0.51
CCR3 P51677 1/20 0.51
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 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
SCHEMBL8545014 0.80 CPB1 (0.60) GRIN2B
SCHEMBL8539516 0.79 HRH3 (0.53) HRH3GRIN2BSIGMAR1CCR3CARM1
SCHEMBL8698787 0.79 MEN1 (0.42) SIGMAR1
SCHEMBL8538300 0.79 GRIN2B (0.54) HRH3GRIN2BSIGMAR1CCR3
SCHEMBL83059 0.78 SIGMAR1 (0.69) HRH3GRIN2BSIGMAR1CCR3CARM1
Hydrochloric Acid SCHEMBL8546852 0.78 GRIN2B (0.53) HRH3GRIN2BSIGMAR1CCR3
SCHEMBL8542377 0.77 HRH3 (0.53) HRH3GRIN2BSIGMAR1CCR3CARM1
SCHEMBL8543286 0.77 GRIN2B (0.55) HRH3GRIN2BSIGMAR1CCR3CARM1
SCHEMBL22302587 0.77 HRH3 (0.43) HRH3
SCHEMBL9029620 0.76 HRH3 (0.52) 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 2 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
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed