SCHEMBL9520945

SCHEMBL9520945

CC(C)(CCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1)Cc1nnn[nH]1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 20/20 0.56
LTB4R2 Q9NPC1 1/20 0.49

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
SCHEMBL8987246 0.81 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL6759592 0.80 LTB4R (0.68) LTB4RLTB4R2
SCHEMBL6757532 0.75 LTB4R (0.69) LTB4RLTB4R2
Ammonia Solution, Strong SCHEMBL6757534 0.74 LTB4R (0.73) LTB4RLTB4R2
SCHEMBL9521475 0.72 LTB4R (0.76) LTB4R
SCHEMBL8987273 0.72 LTB4R (0.65) LTB4RLTB4R2
SCHEMBL4348705 0.72 LTB4R (1.00) LTB4RLTB4R2
SCHEMBL8987236 0.71 LTB4R (0.67) LTB4RLTB4R2
SCHEMBL7110386 0.70 LTB4R (0.68) LTB4RLTB4R2
SCHEMBL6759758 0.70 LTB4R (0.67) LTB4R

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
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed