SCHEMBL7280306

SCHEMBL7280306

OC(COc1ccccc1)CC1CNCCN1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.44
CYP2D6 P10635 3/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
LMNA P02545 2/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
DRD4 P21917 4/20 0.41
DRD2 P14416 3/20 0.41
DRD3 P35462 3/20 0.41
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL6193610 0.82 LMNA (0.52) LTA4HL3MBTL1KDM4ETSHRLMNA
SCHEMBL6192033 0.82 HTR1A (0.42) LTA4HCYP2D6KDM4E
SCHEMBL3015826 0.77 LTA4H (0.78) LTA4H
SCHEMBL4843675 0.77 LTA4H (0.78) LTA4H
SCHEMBL6192476 0.77 ACSL1 (0.44) LTA4HKDM4ETSHRMAPT
Hydrochloric Acid SCHEMBL4320101 0.76 LTA4H (0.76) LTA4H
SCHEMBL4975539 0.75 LTA4H (0.57) LTA4HRECQL
SCHEMBL6451095 0.75 LTA4H (0.43) LTA4HL3MBTL1CYP2D6KDM4ETSHR
SCHEMBL6449880 0.75 LTA4H (0.43) LTA4HL3MBTL1CYP2D6KDM4ETSHR
SCHEMBL4842649 0.75 LTA4H (0.57) LTA4HRECQL

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
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed