SCHEMBL9631745

SCHEMBL9631745

CC1(Cc2ccc(C3(O)CCN(Cc4ccccc4)CC3)cc2)OCCO1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.64
POLB P06746 1/20 0.63
CCR3 P51677 2/20 0.62
LTA4H P09960 1/20 0.48
DRD4 P21917 1/20 0.48
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
CYP2D6 P10635 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
SCHEMBL1411499 0.80 OPRL1 (1.00) OPRL1POLBCCR3LTA4HDRD4
SCHEMBL3898508 0.79 OPRL1 (0.79) OPRL1POLBCCR3DRD4KDM4E
SCHEMBL27679284 0.78 OPRL1 (0.77) OPRL1POLBCCR3LTA4HDRD4
SCHEMBL3890625 0.77 OPRL1 (0.82) OPRL1POLBCCR3DRD4KDM4E
SCHEMBL653218 0.77 CCR3 (1.00) OPRL1POLBCCR3DRD4KDM4E
SCHEMBL6042128 0.77 OPRL1 (0.75) OPRL1POLBCCR3LTA4HDRD4
SCHEMBL3235714 0.76 OPRL1 (0.79) OPRL1POLBCCR3LTA4HDRD4
SCHEMBL15530820 0.76 OPRL1 (0.79) OPRL1POLBCCR3LTA4HDRD4
SCHEMBL2591097 0.76 OPRL1 (0.79) OPRL1POLBCCR3DRD4KDM4E
SCHEMBL6110923 0.76 OPRL1 (0.79) OPRL1POLBCCR3DRD4KMT2A

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-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 EP disclosed