SCHEMBL9029620

SCHEMBL9029620

Cc1cnc(CCC2CCN(CCCc3ccccc3)CC2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
GRIN2B Q13224 1/20 0.51
CCR3 P51677 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
SLC6A4 P31645 1/20 0.48
SLC6A3 Q01959 1/20 0.48

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
SCHEMBL9029852 0.82 HRH3 (0.52) HRH3GRIN2BCCR3SIGMAR1CARM1
SCHEMBL9030941 0.80 HRH3 (0.55) HRH3GRIN2BCCR3SIGMAR1CARM1
SCHEMBL83059 0.77 SIGMAR1 (0.69) HRH3GRIN2BCCR3SIGMAR1CARM1
SCHEMBL9031224 0.76 SIGMAR1 (0.57) HRH3GRIN2BCCR3SIGMAR1CARM1
SCHEMBL8540740 0.76 HRH3 (0.53) HRH3GRIN2BCCR3SIGMAR1CARM1
SCHEMBL9030251 0.76 HDAC3 (0.50)
SCHEMBL9031996 0.76 DRD2 (0.49) HRH3GRIN2BCCR3SIGMAR1CARM1
SCHEMBL9030344 0.75 HRH3 (0.55) HRH3GRIN2BCCR3SIGMAR1
SCHEMBL7449796 0.74 SIGMAR1 (0.74) HRH3CCR3SIGMAR1CARM1PRMT6
SCHEMBL8542377 0.74 HRH3 (0.53) HRH3GRIN2BCCR3SIGMAR1CARM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 EP disclosed