SCHEMBL9030941

SCHEMBL9030941

Cc1c[nH]c(CCC2CCN(CCCc3ccccc3)CC2)n1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.55
SIGMAR1 Q99720 4/20 0.50
CCR3 P51677 1/20 0.50
CARM1 Q86X55 1/20 0.50
PRMT6 Q96LA8 1/20 0.50
GRIN2B Q13224 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) HRH3SIGMAR1CCR3CARM1PRMT6
SCHEMBL9029620 0.80 HRH3 (0.52) HRH3SIGMAR1CCR3CARM1PRMT6
SCHEMBL9031203 0.79 POLB (0.52) GRIN2B
SCHEMBL83059 0.77 SIGMAR1 (0.69) HRH3SIGMAR1CCR3CARM1PRMT6
SCHEMBL9029989 0.76 HDAC3 (0.53) GRIN2B
SCHEMBL9031224 0.76 SIGMAR1 (0.57) HRH3SIGMAR1CCR3CARM1PRMT6
SCHEMBL8540740 0.76 HRH3 (0.53) HRH3SIGMAR1CCR3CARM1PRMT6
SCHEMBL10144381 0.76 DAO (0.44) HRH3
SCHEMBL9031996 0.76 DRD2 (0.49) HRH3SIGMAR1CCR3CARM1PRMT6
SCHEMBL7449796 0.74 SIGMAR1 (0.74) HRH3SIGMAR1CCR3CARM1PRMT6

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