SCHEMBL8539485

SCHEMBL8539485

c1ccc(CCCC2CCN(CCn3cncn3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.51
CCR3 P51677 2/20 0.50
SIGMAR1 Q99720 1/20 0.50
CYP2D6 P10635 1/20 0.48
GRIN2B Q13224 1/20 0.48
CARM1 Q86X55 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
SLC18A3 Q16572 1/20 0.45

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
Hydrochloric Acid SCHEMBL8541843 0.99 HRH3 (0.50) HRH3CCR3SIGMAR1CYP2D6GRIN2B
SCHEMBL8545347 0.90 SIGMAR1 (0.53) HRH3CCR3SIGMAR1GRIN2B
SCHEMBL83059 0.80 SIGMAR1 (0.69) HRH3CCR3SIGMAR1CYP2D6GRIN2B
SCHEMBL7449796 0.80 SIGMAR1 (0.74) HRH3CCR3SIGMAR1CYP2D6CARM1
SCHEMBL7444256 0.79 SIGMAR1 (0.72) HRH3CCR3SIGMAR1CYP2D6
Hydrochloric Acid SCHEMBL7451916 0.79 SIGMAR1 (0.72) HRH3CCR3SIGMAR1CYP2D6
SCHEMBL7437079 0.79 SIGMAR1 (0.72) HRH3CCR3SIGMAR1CYP2D6
SCHEMBL7446629 0.79 SIGMAR1 (0.72) HRH3CCR3SIGMAR1CYP2D6
SCHEMBL7444410 0.79 SIGMAR1 (0.72) HRH3CCR3SIGMAR1CYP2D6
SCHEMBL7449513 0.79 SIGMAR1 (0.72) HRH3CCR3SIGMAR1CYP2D6

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